data_2hfh_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 2hfh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.491 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 2.6 p . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.406 -0.807 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.3 m-85 -81.53 -69.11 0.64 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.98 1.425 . . . . 1.0 109.324 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.515 HD11 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -38.62 -43.15 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.999 1.437 . . . . 1.0 109.317 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 7' ' ' SER . . . -68.44 -40.44 81.13 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.03 1.456 . . . . 1.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -55.17 -31.15 61.14 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.996 1.435 . . . . 1.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' ALA . 13.9 mm -82.14 -47.57 19.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.961 1.413 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.435 ' C ' HG23 ' A' ' 16' ' ' ILE . 1.6 m -44.98 -38.02 4.43 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.942 1.401 . . . . 1.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.531 ' HE1' ' CZ ' ' A' ' 32' ' ' PHE . 4.1 ptt? -83.24 -26.87 30.35 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.962 1.414 . . . . 1.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -77.02 -23.64 52.17 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.985 1.428 . . . . 1.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.623 HD12 ' CD1' ' A' ' 79' ' ' LEU . 4.8 tp -82.22 -49.8 16.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.984 1.428 . . . . 1.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -52.72 -27.27 16.88 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.968 1.417 . . . . 1.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -41.5 -33.74 0.47 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.06 1.475 . . . . 1.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 8.6 p -102.15 111.99 64.93 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 124.985 1.428 . . . . 1.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.86 8.41 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.548 2.832 . . . . 1.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.41 -84.77 0.66 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.997 1.436 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 42.68 0.0 OUTLIER 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.961 1.413 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' C ' HD23 ' A' ' 24' ' ' LEU . 6.9 mtmm -140.71 114.45 8.9 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.01 1.443 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 4.2 mm? -116.02 130.63 56.9 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 28' ' ' GLY . 69.3 p -106.84 104.51 14.21 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.04 1.463 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.32 -34.22 1.17 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.013 1.446 . . . . 1.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 t -66.61 -41.67 88.03 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.031 1.457 . . . . 1.0 109.264 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.15 -16.97 80.15 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.333 -1.507 . . . . 1.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -79.32 -52.79 14.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.993 1.055 . . . . 1.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.2 p -51.78 -45.19 63.72 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.966 1.416 . . . . 1.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -70.75 -29.09 65.23 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.049 1.468 . . . . 1.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.531 ' CZ ' ' HE1' ' A' ' 14' ' ' MET . 0.0 OUTLIER -70.8 -34.62 71.93 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.985 1.428 . . . . 1.0 109.3 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 46.8 mm -64.56 -61.21 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.976 1.422 . . . . 1.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -50.67 -22.48 2.08 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.452 . . . . 1.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.29 -32.8 70.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.053 1.471 . . . . 1.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.86 14.5 3.62 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.986 1.429 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.534 ' CE2' HD12 ' A' ' 11' ' ' LEU . 5.0 m-85 -140.49 61.09 15.32 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 124.98 1.425 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 18.4 Cg_endo -74.95 -53.57 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.522 2.814 . . . . 1.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -71.43 -19.38 62.25 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.017 1.448 . . . . 1.0 109.306 -179.765 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.72 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 0.5 OUTLIER -80.85 -53.15 6.72 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.984 1.428 . . . . 1.0 109.277 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -41.21 67.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 17.4 tp10 -66.59 -11.64 54.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.443 . . . . 1.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -111.15 -36.73 5.53 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.021 1.451 . . . . 1.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.813 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -132.84 64.9 72.87 Favored Pre-proline 0 C--O 1.24 0.584 0 O-C-N 125.022 1.452 . . . . 1.0 109.242 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.99 -10.62 21.31 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.566 2.844 . . . . 1.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.1 -18.76 45.39 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.971 1.42 . . . . 1.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.813 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -77.15 -2.99 37.19 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.989 1.43 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -48.56 -40.57 27.63 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.425 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -81.71 -38.09 26.32 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.001 1.438 . . . . 1.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.448 ' OG ' ' OH ' ' A' ' 8' ' ' TYR . 53.5 p -48.02 -44.81 31.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.952 1.408 . . . . 1.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.536 HD12 ' CE2' ' A' ' 47' ' ' TRP . 90.8 mt -64.89 -41.87 93.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.03 1.456 . . . . 1.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -56.8 -40.33 75.77 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.044 1.465 . . . . 1.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -56.06 -49.71 73.01 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.496 ' HA ' ' HB3' ' A' ' 57' ' ' LEU . 7.1 m120 -78.84 -21.72 47.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.045 1.466 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.6 ' CD2' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -59.01 -52.99 63.38 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.438 . . . . 1.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 11.5 t -82.75 -22.24 34.42 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.973 1.421 . . . . 1.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.496 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -82.56 -9.35 59.44 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.057 1.473 . . . . 1.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.443 ' ND2' HG13 ' A' ' 12' ' ' ILE . 2.3 m-80 -88.6 -82.09 0.25 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.97 1.419 . . . . 1.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 91.1 m-20 -71.2 -53.3 14.91 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.006 1.441 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 9.9 m 95.85 49.61 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.02 1.45 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.528 ' CE1' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -82.86 -173.5 4.72 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.993 1.433 . . . . 1.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.2 m -118.28 124.71 73.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.994 1.434 . . . . 1.0 109.364 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -99.16 147.19 25.36 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.024 1.452 . . . . 1.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.452 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 1.1 pt -106.77 99.76 27.38 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 124.939 1.4 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.0 91.54 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.489 2.793 . . . . 1.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 63.43 71.68 0.5 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.07 1.481 . . . . 1.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' CB ' HD11 ' A' ' 64' ' ' ILE . 3.3 tp10 . . . . . 0 C--O 1.24 0.571 0 O-C-N 124.976 1.423 . . . . 1.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.408 ' O ' HG23 ' A' ' 25' ' ' THR . 5.3 m120 -130.5 175.65 8.8 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.97 1.041 . . . . 1.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -126.65 78.87 1.82 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.049 1.468 . . . . 1.0 109.301 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.6 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 9.2 m0 -72.21 128.28 35.17 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.037 1.46 . . . . 1.0 109.272 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 28.1 m -124.15 135.32 53.41 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.952 1.408 . . . . 1.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.623 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -71.63 131.41 43.15 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.015 1.447 . . . . 1.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 C--O 1.241 0.619 0 O-C-N 124.988 1.43 . . . . 1.0 109.343 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.558 ' OG ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.562 0 CA-C-O 118.406 -0.807 . . . . 1.0 109.324 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.496 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -85.45 -69.61 0.65 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.959 1.412 . . . . 1.0 109.327 -179.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.438 HD13 ' N ' ' A' ' 10' ' ' ALA . 1.6 pp -53.52 -57.75 4.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.018 1.449 . . . . 1.0 109.36 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HB2' ' OG ' ' A' ' 7' ' ' SER . . . -50.29 -30.74 12.58 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.949 1.406 . . . . 1.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 1.2 tt -73.12 -34.76 66.32 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.994 1.434 . . . . 1.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.1 mp -81.42 -51.59 15.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.018 1.449 . . . . 1.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -48.69 -36.28 15.8 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.98 1.425 . . . . 1.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.534 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 6.6 ptt? -76.99 -22.88 52.48 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.951 1.407 . . . . 1.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -79.59 -26.83 41.19 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.915 1.384 . . . . 1.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.479 HD11 ' O ' ' A' ' 12' ' ' ILE . 1.4 mp -79.56 -56.63 6.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.978 1.424 . . . . 1.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.534 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 3.6 pp -49.86 -28.77 6.96 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.943 1.402 . . . . 1.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -63.32 -13.42 38.64 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.08 1.487 . . . . 1.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 21' ' ' GLN . 17.8 m -115.59 81.79 9.39 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 25.38 0.38 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.518 2.812 . . . . 1.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 20.6 tt0 -116.56 -29.49 6.12 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 25.2 mtpt 95.06 30.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.978 1.424 . . . . 1.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -140.36 99.46 3.66 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.02 1.45 . . . . 1.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.423 HD11 ' OG ' ' A' ' 19' ' ' SER . 4.6 mm? -96.58 122.81 39.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.011 1.444 . . . . 1.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' GLY . 33.8 p -98.89 110.98 23.5 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.444 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -44.34 -40.67 5.49 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.031 1.457 . . . . 1.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.0 p -58.78 -39.31 80.67 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.97 1.418 . . . . 1.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -80.52 -31.51 36.89 Favored Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.328 -1.509 . . . . 1.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 3.5 mm -59.98 -58.05 8.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.986 1.051 . . . . 1.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.2 t -57.12 -42.94 81.81 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.022 1.451 . . . . 1.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -67.79 -33.87 75.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.977 1.423 . . . . 1.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.568 ' CD2' HD11 ' A' ' 33' ' ' ILE . 7.2 t80 -65.06 -46.38 81.46 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.007 1.442 . . . . 1.0 109.358 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 32' ' ' PHE . 41.4 mm -63.33 -48.56 86.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.979 1.425 . . . . 1.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -24.31 67.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.961 1.413 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -67.52 -39.97 85.08 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.025 1.453 . . . . 1.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -91.52 -46.26 8.07 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.985 1.428 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' A' ' 11' ' ' LEU . 3.2 m-85 -122.71 79.0 48.42 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 125.0 1.437 . . . . 1.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -34.28 4.0 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.533 2.822 . . . . 1.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.66 -30.37 69.05 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.981 1.426 . . . . 1.0 109.277 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 1.1 t80 -64.63 -47.57 78.05 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.963 1.414 . . . . 1.0 109.277 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -78.17 -41.82 33.55 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 1.0 109.285 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.03 -21.94 47.6 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.006 1.442 . . . . 1.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.99 -19.96 11.21 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.015 1.447 . . . . 1.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.743 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -130.3 66.69 78.72 Favored Pre-proline 0 C--O 1.239 0.524 0 O-C-N 124.997 1.436 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -9.21 20.7 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.473 2.782 . . . . 1.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.23 -17.28 46.63 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.034 1.459 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -81.16 9.74 6.4 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.026 1.453 . . . . 1.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -47.81 84.56 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.007 1.442 . . . . 1.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -81.2 -27.95 35.12 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.039 1.462 . . . . 1.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 t -53.61 -44.32 69.37 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.014 1.446 . . . . 1.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.1 pt -72.94 -34.34 45.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.009 1.443 . . . . 1.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' NE ' HD12 ' A' ' 26' ' ' LEU . 45.0 mtt180 -58.25 -49.6 76.52 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.988 1.43 . . . . 1.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.467 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 22.5 t60 -61.69 -60.32 3.84 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.458 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 12.8 t-20 -56.1 -29.58 60.8 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.016 1.448 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.515 HD21 ' CZ3' ' A' ' 77' ' ' TRP . 11.4 tp -67.57 -44.07 79.07 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.955 1.409 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 24.6 p -83.53 -27.82 29.08 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.016 1.447 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -81.97 -16.37 50.61 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.949 1.406 . . . . 1.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 45.9 m-20 -86.11 -76.42 0.34 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.02 1.45 . . . . 1.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 6.2 m-20 -66.77 -60.14 2.94 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.002 1.439 . . . . 1.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 25.9 m 97.69 31.06 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -76.77 -177.21 4.2 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.994 1.434 . . . . 1.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 14.8 m -110.81 123.74 66.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.015 1.447 . . . . 1.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.521 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 2.1 ptpt -97.46 165.41 12.02 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.015 1.447 . . . . 1.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 66' ' ' ARG . 54.4 mt -110.27 93.09 14.8 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 125.023 1.452 . . . . 1.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.04 17.62 0.59 Allowed 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.495 2.797 . . . . 1.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.448 ' H ' ' C ' ' A' ' 64' ' ' ILE . 43.3 ttt-85 176.56 85.86 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 74' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.589 0 O-C-N 124.992 1.432 . . . . 1.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.472 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 84.5 m-20 -165.86 170.01 14.28 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.048 . . . . 1.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 8.2 m-85 -136.6 90.79 2.59 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.001 1.438 . . . . 1.0 109.292 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.598 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 4.4 m0 -82.64 131.87 35.2 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.0 1.438 . . . . 1.0 109.309 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.563 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 4.5 m -119.27 138.3 53.1 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.509 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 1.8 tp -70.36 119.84 15.14 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.029 1.456 . . . . 1.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.241 0.609 0 O-C-N 124.96 1.413 . . . . 1.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.386 -0.816 . . . . 1.0 109.294 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 50' ' ' SER . 0.7 OUTLIER -80.09 -51.96 8.37 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.965 1.416 . . . . 1.0 109.317 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.486 HG12 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -53.36 -41.73 45.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 124.957 1.411 . . . . 1.0 109.308 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.486 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -70.1 -21.22 63.14 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.974 1.421 . . . . 1.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.491 HD21 ' CD1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -80.84 -36.48 31.46 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.003 1.439 . . . . 1.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.491 ' CD1' HD21 ' A' ' 11' ' ' LEU . 1.4 mp -80.82 -36.8 15.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.029 1.456 . . . . 1.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.439 ' OG1' ' HA ' ' A' ' 10' ' ' ALA . 2.9 p -46.99 -42.33 17.8 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.015 1.447 . . . . 1.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.491 ' HE1' ' CZ ' ' A' ' 32' ' ' PHE . 6.8 ptt? -82.8 -24.1 33.55 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.962 1.414 . . . . 1.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -68.43 -56.15 9.43 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.498 HD12 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -44.0 -48.55 2.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 124.977 1.423 . . . . 1.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.406 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 3.3 mp -50.08 -25.96 3.96 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.966 1.416 . . . . 1.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.587 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 13.9 mm100 -45.79 -27.8 0.92 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.991 1.432 . . . . 1.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.5 m -102.87 104.16 37.76 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 125.023 1.452 . . . . 1.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.05 0.74 8.57 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.478 2.785 . . . . 1.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 22' ' ' LYS . 1.6 tp60 -124.75 -82.24 0.64 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.977 1.423 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 21' ' ' GLN . 1.6 ptmt 178.29 39.06 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.014 1.446 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' CG ' ' HB2' ' A' ' 76' ' ' TYR . 5.0 mptt -132.7 90.62 2.79 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.0 1.437 . . . . 1.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -77.48 114.86 16.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.989 1.43 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' GLY . 43.2 p -101.81 98.4 8.65 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.943 1.402 . . . . 1.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.55 ' CD1' ' CD ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -51.91 -21.62 3.15 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.983 1.427 . . . . 1.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 p -75.4 -24.47 57.17 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.026 1.454 . . . . 1.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' GLU . . . -81.17 -57.75 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -43.53 -45.53 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.989 1.052 . . . . 1.0 109.328 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.9 t -50.47 -37.2 37.17 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLY . 8.1 tp10 -82.07 -31.55 30.78 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.974 1.421 . . . . 1.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.662 ' CE2' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -79.92 -55.6 4.85 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.027 1.454 . . . . 1.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.662 ' CD1' ' CE2' ' A' ' 32' ' ' PHE . 4.8 mm -56.47 -38.69 57.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.973 1.421 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -79.89 -24.4 41.18 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.991 1.432 . . . . 1.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.12 -49.0 79.04 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.002 1.439 . . . . 1.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -89.6 -25.78 21.13 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.014 1.446 . . . . 1.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.409 ' CZ ' ' HD3' ' A' ' 36' ' ' ARG . 9.8 m-85 -128.99 69.23 80.76 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 124.974 1.421 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -56.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.482 2.788 . . . . 1.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -53.59 -23.84 12.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.972 1.42 . . . . 1.0 109.264 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -38.06 89.1 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.965 1.415 . . . . 1.0 109.298 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -61.95 -53.6 53.34 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.942 1.401 . . . . 1.0 109.324 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -38.67 75.17 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.978 1.423 . . . . 1.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -53.21 18.09 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.959 1.412 . . . . 1.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.4 t80 -133.38 96.18 17.39 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.992 1.432 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.81 10.4 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.479 2.786 . . . . 1.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -84.92 23.84 1.15 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.949 1.405 . . . . 1.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 32.2 m95 -68.16 -58.4 4.51 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.998 1.436 . . . . 1.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.55 ' CD ' ' CD1' ' A' ' 26' ' ' LEU . 24.6 tt0 -50.15 -36.37 29.82 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.046 1.466 . . . . 1.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -72.56 -48.09 42.82 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.473 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 3.0 p -65.6 -60.88 2.46 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.979 1.424 . . . . 1.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.732 ' O ' ' N ' ' A' ' 55' ' ' LEU . 7.5 pt -48.28 -54.43 4.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.007 1.442 . . . . 1.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' N ' ' CG1' ' A' ' 51' ' ' ILE . 0.3 OUTLIER -44.73 -39.42 5.16 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.015 1.447 . . . . 1.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 50' ' ' SER . 4.5 t60 -71.97 -54.98 8.29 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.952 1.408 . . . . 1.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' ND2' ' OD1' ' A' ' 58' ' ' ASN . 14.3 t30 -66.47 -29.0 69.03 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.016 1.447 . . . . 1.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 51' ' ' ILE . 2.9 mt -54.73 -54.28 44.03 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.986 1.429 . . . . 1.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -74.96 -26.47 59.61 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.07 16.7 2.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.007 1.442 . . . . 1.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' OD1' ' ND2' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -113.55 -83.27 0.6 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.003 1.439 . . . . 1.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.547 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.6 m-20 -81.97 -39.23 23.95 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.997 1.436 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 6.1 m 92.24 52.32 0.0 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.036 1.46 . . . . 1.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -92.06 -170.57 2.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.051 1.469 . . . . 1.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 3.3 t -118.04 135.66 57.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.025 1.453 . . . . 1.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.63 ' HB3' ' CE2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -103.36 142.75 33.68 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.289 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.545 HD12 ' CD1' ' A' ' 76' ' ' TYR . 1.1 pp -130.72 58.46 38.94 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 125.016 1.448 . . . . 1.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 33.61 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.52 2.813 . . . . 1.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 64' ' ' ILE . 5.4 ttm180 -173.96 63.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.988 1.43 . . . . 1.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--O 1.24 0.57 0 O-C-N 125.039 1.462 . . . . 1.0 109.266 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.32 -172.39 2.61 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.021 1.071 . . . . 1.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.7 p90 -158.65 118.84 3.22 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.961 1.413 . . . . 1.0 109.316 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.63 ' CE2' ' HB3' ' A' ' 63' ' ' LYS . 3.3 m0 -94.23 153.36 18.1 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.058 1.474 . . . . 1.0 109.275 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 65.3 p -131.43 144.97 51.57 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.983 1.427 . . . . 1.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.558 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -71.35 152.47 43.16 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.002 1.439 . . . . 1.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.239 0.524 0 O-C-N 125.052 1.47 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.429 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 36.5 t . . . . . 0 C--O 1.24 0.604 0 CA-C-O 118.405 -0.807 . . . . 1.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.427 ' HB3' ' ND2' ' A' ' 54' ' ' ASN . 9.5 m-85 -75.54 -50.06 16.79 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.964 1.415 . . . . 1.0 109.305 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 10' ' ' ALA . 28.9 pt -57.12 -39.91 69.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.32 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' CB ' ' HB3' ' A' ' 7' ' ' SER . . . -54.2 -40.29 67.46 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.029 1.456 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 mt -71.56 -47.18 56.65 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.986 1.429 . . . . 1.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.497 ' CG2' HD21 ' A' ' 55' ' ' LEU . 5.7 mm -60.99 -40.55 85.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.037 1.46 . . . . 1.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -45.04 -42.04 8.12 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 1.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.51 ' HE3' ' CZ ' ' A' ' 36' ' ' ARG . 23.4 ttp -79.67 -31.26 41.4 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.656 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -64.15 -44.99 90.43 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.511 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -75.15 -34.66 32.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.017 1.448 . . . . 1.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.69 -44.6 96.34 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.94 1.4 . . . . 1.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -47.44 -24.61 0.85 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.034 1.459 . . . . 1.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.43 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.5 p -71.78 114.47 28.9 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.019 1.449 . . . . 1.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.18 10.88 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.523 2.816 . . . . 1.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.76 -82.87 0.23 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.004 1.44 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.83 38.71 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 1.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' CG ' ' HB3' ' A' ' 76' ' ' TYR . 11.9 mttm -131.27 105.73 7.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.031 1.457 . . . . 1.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 3.5 mm? -104.62 111.07 23.62 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.98 1.425 . . . . 1.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' GLY . 53.0 p -85.67 104.47 15.42 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.99 1.431 . . . . 1.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' HG ' ' CD ' ' A' ' 52' ' ' ARG . 2.5 tm? -43.09 -29.34 0.35 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.945 1.403 . . . . 1.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.0 m -76.29 -42.49 45.23 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.84 -21.68 65.47 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 mp -74.41 -46.74 42.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 125.014 1.067 . . . . 1.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 p -56.89 -35.76 69.34 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.967 1.417 . . . . 1.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 4.7 tt0 -73.92 -44.99 53.31 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.032 1.458 . . . . 1.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.656 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -51.41 -45.08 62.41 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.036 1.46 . . . . 1.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.829 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 4.5 mt -79.51 -27.1 12.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 124.995 1.434 . . . . 1.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -65.47 -28.96 69.58 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.617 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 1.6 p-10 -85.45 -2.03 57.68 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.04 1.463 . . . . 1.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.538 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 2.4 ptt180 -135.56 6.14 3.22 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.977 1.423 . . . . 1.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.829 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 2.2 m-85 -131.16 72.9 81.16 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.036 1.46 . . . . 1.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' O ' ' HB2' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.03 -66.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.498 2.799 . . . . 1.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.526 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -80.99 1.02 33.03 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.969 1.418 . . . . 1.0 109.313 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.611 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -86.34 -50.42 6.94 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.937 1.398 . . . . 1.0 109.274 -179.32 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -84.35 -41.91 16.28 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -66.06 -7.03 15.0 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.018 1.449 . . . . 1.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -107.81 -49.29 3.25 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.44 . . . . 1.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.745 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.1 t80 -131.11 71.27 82.28 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.03 1.456 . . . . 1.0 109.225 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -4.85 16.01 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.537 2.825 . . . . 1.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . . . -80.93 -20.09 42.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.997 1.436 . . . . 1.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.745 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.69 12.07 5.14 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.982 1.426 . . . . 1.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.8 -44.59 90.82 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.974 1.421 . . . . 1.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -81.37 -38.54 26.45 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.024 1.452 . . . . 1.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -40.69 25.61 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.045 1.466 . . . . 1.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.52 HD12 ' CE2' ' A' ' 47' ' ' TRP . 88.2 mt -66.71 -41.29 87.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 1.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.484 ' CD ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.1 -42.53 76.92 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.988 1.43 . . . . 1.0 109.358 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -57.35 -57.93 10.5 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.019 1.449 . . . . 1.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 8' ' ' TYR . 2.3 t30 -65.68 -24.17 66.94 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.982 1.426 . . . . 1.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.509 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -59.01 -51.97 67.77 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.0 1.438 . . . . 1.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.51 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 3.9 t -84.88 -17.89 36.51 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 1.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.3 mm? -83.23 -15.3 50.92 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.021 1.451 . . . . 1.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -88.12 -84.81 0.19 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.021 1.45 . . . . 1.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.4 m-20 -61.36 -54.37 44.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.001 1.438 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 94.62 44.14 0.0 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.001 1.438 . . . . 1.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -85.67 -176.23 5.96 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.03 1.456 . . . . 1.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 84.0 t -112.6 127.04 70.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.965 1.415 . . . . 1.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HB3' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -105.71 137.6 43.3 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.949 1.406 . . . . 1.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.554 HG22 ' CG ' ' A' ' 67' ' ' GLU . 3.0 mp -88.77 111.37 43.91 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.007 1.442 . . . . 1.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 -9.05 20.6 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.477 2.785 . . . . 1.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.57 84.78 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.554 ' CG ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.549 0 O-C-N 124.995 1.435 . . . . 1.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.404 ' O ' HG23 ' A' ' 25' ' ' THR . 0.2 OUTLIER -168.32 177.15 5.53 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.988 1.052 . . . . 1.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.503 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -127.6 97.34 4.82 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.996 1.435 . . . . 1.0 109.316 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.494 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 14.1 m0 -80.71 133.42 35.68 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.976 1.423 . . . . 1.0 109.279 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 30.8 p -120.59 133.62 55.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.993 1.433 . . . . 1.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.68 133.55 46.74 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.983 1.427 . . . . 1.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 1.4 p-10 . . . . . 0 C--O 1.239 0.51 0 O-C-N 125.037 1.461 . . . . 1.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.24 0.579 0 CA-C-O 118.409 -0.805 . . . . 1.0 109.274 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.414 ' OH ' ' OG ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -81.28 -47.26 13.57 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.985 1.428 . . . . 1.0 109.273 -179.773 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 10' ' ' ALA . 22.6 pt -61.29 -48.0 90.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 125.027 1.454 . . . . 1.0 109.337 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -55.03 -24.84 26.69 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.954 1.409 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.552 HD12 ' CE2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -80.92 -45.27 17.0 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.019 1.449 . . . . 1.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.578 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.8 mp -74.14 -45.72 47.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.988 1.43 . . . . 1.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 16' ' ' ILE . 17.6 p -41.22 -34.51 0.49 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.993 1.433 . . . . 1.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.415 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -83.87 -33.03 24.9 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.944 1.402 . . . . 1.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.803 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -63.18 -47.38 82.88 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.993 1.433 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' A' ' 79' ' ' LEU . 2.2 tp -49.28 -42.71 15.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.034 1.459 . . . . 1.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 17' ' ' LEU . 3.0 mm? -51.68 -31.64 26.63 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.95 1.406 . . . . 1.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.803 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -42.49 -31.65 0.46 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 1.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 23' ' ' LYS . 5.4 m -127.11 99.2 28.75 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.79 10.39 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.487 2.791 . . . . 1.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -106.61 -76.76 0.6 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 1.0 109.312 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 167.37 42.5 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.029 1.456 . . . . 1.0 109.334 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' ' OG ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -141.31 93.9 2.63 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.003 1.439 . . . . 1.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD12 ' CD1' ' A' ' 16' ' ' ILE . 1.1 mp -106.6 119.93 40.6 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.015 1.447 . . . . 1.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.7 p -95.42 102.68 14.51 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.952 1.408 . . . . 1.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 2.8 tm? -45.24 -30.26 1.18 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t -60.29 -45.86 91.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 1.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.15 -24.33 61.67 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.416 ' HA ' HD11 ' A' ' 29' ' ' ILE . 34.7 mm -60.39 -54.16 38.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 125.067 1.098 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 t -54.57 -44.99 73.45 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.99 1.431 . . . . 1.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -66.51 -31.96 73.01 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.04 1.463 . . . . 1.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.654 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 1.1 t80 -67.44 -43.7 80.5 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.004 1.44 . . . . 1.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.552 HD11 ' CE2' ' A' ' 32' ' ' PHE . 49.3 mm -62.57 -58.47 7.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.054 1.471 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.7 p -59.81 -18.66 45.48 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.93 1.394 . . . . 1.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.67 -38.14 80.67 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.98 1.425 . . . . 1.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.567 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -128.03 6.88 6.01 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 88.1 m-85 -142.16 62.03 13.14 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.947 1.404 . . . . 1.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.98 -47.24 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.549 2.833 . . . . 1.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.82 -21.81 62.41 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.019 1.45 . . . . 1.0 109.295 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CD1' ' CH2' ' A' ' 47' ' ' TRP . 1.4 t80 -68.51 -49.44 59.6 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.025 1.453 . . . . 1.0 109.278 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -73.38 -33.5 65.07 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.446 . . . . 1.0 109.293 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -14.56 62.01 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.0 10.77 10.18 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.451 . . . . 1.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.81 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.9 t80 -178.83 65.01 0.17 Allowed Pre-proline 0 C--O 1.24 0.594 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.99 -17.75 19.32 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.515 2.81 . . . . 1.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.21 -17.07 64.51 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.01 1.444 . . . . 1.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.81 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -80.14 -1.1 38.76 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.984 1.427 . . . . 1.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -60.46 -41.72 94.73 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.029 1.456 . . . . 1.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 9.2 t30 -80.43 -39.14 28.8 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.008 1.442 . . . . 1.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.414 ' OG ' ' OH ' ' A' ' 8' ' ' TYR . 89.3 p -56.34 -48.95 75.72 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.971 1.419 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 81.9 mt -51.29 -30.82 10.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.439 . . . . 1.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.438 ' NE ' ' HG ' ' A' ' 26' ' ' LEU . 12.4 mtp180 -80.21 -37.94 32.15 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.985 1.428 . . . . 1.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -60.04 -61.32 2.7 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -25.68 67.93 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.99 1.431 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.569 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 1.4 mt -58.14 -53.18 61.21 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.005 1.441 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.483 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 3.1 t -81.94 -17.72 46.07 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.8 mp -81.28 -12.0 59.2 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.005 1.44 . . . . 1.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -98.79 -84.45 0.4 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.992 1.432 . . . . 1.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.6 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.1 m-20 -55.64 -52.84 62.46 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.966 1.416 . . . . 1.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER 95.26 37.46 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.002 1.439 . . . . 1.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.6 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -84.88 -176.65 6.31 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.452 . . . . 1.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -119.33 127.0 75.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.041 1.463 . . . . 1.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -104.88 142.38 34.85 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.948 1.405 . . . . 1.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 1.0 OUTLIER -125.87 70.44 66.59 Favored Pre-proline 0 C--O 1.239 0.528 0 O-C-N 124.901 1.376 . . . . 1.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.06 42.3 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.479 2.786 . . . . 1.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER 174.8 68.81 0.0 OUTLIER 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.415 . . . . 1.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--O 1.24 0.572 0 O-C-N 125.043 1.464 . . . . 1.0 109.29 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 109.27 -1.532 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 12.0 p30 -131.87 -165.28 1.56 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.022 1.072 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -157.42 136.8 11.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.993 1.433 . . . . 1.0 109.339 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.549 ' N ' ' CD1' ' A' ' 77' ' ' TRP . 2.3 m0 -95.68 145.87 24.95 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.995 1.434 . . . . 1.0 109.251 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 37.1 p -126.59 136.1 52.1 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.998 1.436 . . . . 1.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.543 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -72.66 131.01 41.85 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.452 . . . . 1.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.314 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.546 0 CA-C-O 118.406 -0.807 . . . . 1.0 109.262 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.5 m-85 -81.16 -70.87 0.5 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.058 1.474 . . . . 1.0 109.303 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -47.76 -37.6 6.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.034 1.459 . . . . 1.0 109.325 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.01 -30.43 71.41 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.985 1.428 . . . . 1.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.676 ' CD2' ' CZ ' ' A' ' 37' ' ' PHE . 2.9 tm? -71.9 -57.28 4.45 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.992 1.433 . . . . 1.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' CG2' HD13 ' A' ' 55' ' ' LEU . 2.1 mp -59.16 -42.41 86.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 125.028 1.455 . . . . 1.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -47.08 -37.52 9.74 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.001 1.438 . . . . 1.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.483 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 32.9 ttp -82.76 -35.14 26.81 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.982 1.426 . . . . 1.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -71.1 -30.19 66.23 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.931 1.394 . . . . 1.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 61' ' ' PHE . 11.2 tp -79.65 -51.25 16.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.43 . . . . 1.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 0.9 OUTLIER -60.65 -28.37 68.52 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.987 1.43 . . . . 1.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 2.6 pp0? -49.6 -25.38 2.74 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.989 1.43 . . . . 1.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -69.4 114.79 26.57 Favored Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.03 1.456 . . . . 1.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -75.01 -1.42 11.21 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.492 2.794 . . . . 1.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -140.01 -83.91 0.24 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.971 1.419 . . . . 1.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.43 37.29 0.0 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.02 1.45 . . . . 1.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -142.86 108.08 4.99 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.031 1.457 . . . . 1.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' HB2' HD12 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -117.2 128.66 55.32 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.031 1.457 . . . . 1.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 75' ' ' ASN . 29.2 p -95.95 119.37 34.32 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.98 1.425 . . . . 1.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -49.66 -38.44 32.54 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 1.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.8 p -52.7 -39.18 61.76 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -79.07 -30.96 44.63 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.474 HD12 ' HB2' ' A' ' 24' ' ' LEU . 1.7 mp -59.05 -37.87 70.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 124.95 1.029 . . . . 1.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.43 -56.55 11.87 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.014 1.446 . . . . 1.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -67.25 -33.48 75.42 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' GLY . 1.5 t80 -56.89 -32.25 65.69 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.019 1.449 . . . . 1.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mt -75.18 -57.32 6.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 125.0 1.437 . . . . 1.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 t -54.72 -18.36 4.56 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.965 1.416 . . . . 1.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 10.6 m120 -74.5 -44.56 50.76 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.971 1.419 . . . . 1.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -90.21 -47.81 7.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.995 1.434 . . . . 1.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.676 ' CZ ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -119.0 81.79 20.27 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 125.005 1.441 . . . . 1.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.25 5.6 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.531 2.821 . . . . 1.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -75.02 -26.5 59.53 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.014 1.446 . . . . 1.0 109.292 -179.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CG ' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -65.2 -55.03 20.87 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.02 1.45 . . . . 1.0 109.299 -179.351 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -59.7 -41.37 90.62 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.26 -7.82 53.16 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.019 1.45 . . . . 1.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -104.61 -46.27 4.39 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.988 1.43 . . . . 1.0 109.342 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.739 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.4 t80 -138.28 73.56 43.46 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.037 1.46 . . . . 1.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.95 17.45 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.514 2.809 . . . . 1.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.74 -11.01 59.68 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.979 1.424 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.739 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -89.48 18.27 5.49 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.469 . . . . 1.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.68 -52.15 58.77 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.031 1.457 . . . . 1.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 36.9 t30 -80.32 -27.15 38.46 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.976 1.423 . . . . 1.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.54 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 38.8 m -53.84 -44.27 70.16 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.403 ' CG1' HD12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -72.43 -28.09 27.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.001 1.438 . . . . 1.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.501 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 20.8 mtm180 -65.07 -43.45 92.19 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.957 1.411 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -59.84 -53.34 59.08 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.0 1.437 . . . . 1.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.484 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 5.1 m120 -69.26 -25.78 64.44 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.949 1.406 . . . . 1.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.586 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 11.7 tp -59.39 -50.93 72.05 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 1.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.592 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.1 t -77.94 -27.01 49.24 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.015 1.447 . . . . 1.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.2 mp -84.38 5.42 27.19 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.999 1.437 . . . . 1.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.415 ' OD1' ' OD2' ' A' ' 59' ' ' ASP . 14.6 t-20 -94.83 -83.37 0.35 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.031 1.457 . . . . 1.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 21.3 m-20 -79.55 -27.21 41.28 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.961 1.413 . . . . 1.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 75.34 33.67 0.67 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.997 1.436 . . . . 1.0 109.271 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -67.83 -176.17 0.63 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -112.51 125.75 69.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 125.04 1.462 . . . . 1.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.588 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -107.83 151.24 26.0 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.95 1.406 . . . . 1.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 1.3 mp -110.78 95.85 25.8 Favored Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 5.02 4.24 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.512 2.808 . . . . 1.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.86 83.15 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 . . . . . 0 C--O 1.24 0.578 0 O-C-N 125.007 1.442 . . . . 1.0 109.327 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 109.287 -1.525 . . . . 1.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.44 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 4.1 m-80 -153.73 -156.09 0.65 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.04 1.082 . . . . 1.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -155.77 112.75 3.22 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.005 1.44 . . . . 1.0 109.324 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.588 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 3.0 m0 -89.54 129.67 35.98 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.0 1.438 . . . . 1.0 109.276 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 48.9 p -114.44 141.77 47.24 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.029 1.456 . . . . 1.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.556 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -74.32 124.05 25.75 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.969 1.418 . . . . 1.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.55 0 O-C-N 125.041 1.463 . . . . 1.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 1.3 p . . . . . 0 C--O 1.24 0.573 0 CA-C-O 118.393 -0.813 . . . . 1.0 109.334 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.433 ' OH ' ' CB ' ' A' ' 50' ' ' SER . 3.6 m-85 -82.57 -68.37 0.71 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.959 1.412 . . . . 1.0 109.284 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.428 HD13 ' N ' ' A' ' 10' ' ' ALA . 1.8 pp -45.98 -52.68 2.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.016 1.447 . . . . 1.0 109.316 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' N ' HD13 ' A' ' 9' ' ' ILE . . . -52.15 -29.43 22.06 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.012 1.445 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -82.26 -55.12 4.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.963 1.414 . . . . 1.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.504 ' CG2' ' ND2' ' A' ' 58' ' ' ASN . 1.5 mp -51.43 -48.57 34.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 125.01 1.443 . . . . 1.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -39.64 -41.72 1.09 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.989 1.43 . . . . 1.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.1 ttp -81.98 -36.84 27.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.015 1.447 . . . . 1.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -57.94 -30.57 66.06 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.003 1.44 . . . . 1.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 79' ' ' LEU . 50.3 mm -71.34 -34.43 53.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.982 1.426 . . . . 1.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.39 -29.36 69.87 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.934 1.396 . . . . 1.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.538 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 12.1 mm-40 -44.73 -26.99 0.44 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.437 . . . . 1.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.418 ' OG ' HD23 ' A' ' 24' ' ' LEU . 24.6 m -100.06 106.06 39.17 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.012 1.445 . . . . 1.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.1 Cg_endo -75.04 1.42 7.78 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.539 2.826 . . . . 1.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -84.32 0.65 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.985 1.428 . . . . 1.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.82 40.5 0.0 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.0 1.438 . . . . 1.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.555 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -140.97 109.41 5.9 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.026 1.454 . . . . 1.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 15' ' ' ALA . 2.7 mm? -94.12 130.15 40.42 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.012 1.445 . . . . 1.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.3 p -104.06 107.59 18.55 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.908 1.38 . . . . 1.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.433 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 4.1 tp -46.9 -30.12 2.37 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.982 1.426 . . . . 1.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.4 m -65.02 -44.14 90.17 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 1.0 109.252 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -78.8 -25.64 59.99 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 15' ' ' ALA . 5.2 mm -60.55 -56.88 14.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 O-C-N 125.007 1.063 . . . . 1.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 t -66.23 -40.64 90.42 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.998 1.436 . . . . 1.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 11.8 tt0 -64.17 -38.27 90.47 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.985 1.428 . . . . 1.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.515 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -60.1 -56.62 19.41 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.996 1.435 . . . . 1.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.48 HG13 ' CE2' ' A' ' 32' ' ' PHE . 4.5 mt -66.06 -13.83 16.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.992 1.433 . . . . 1.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 27.4 t -82.69 -41.73 18.97 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.966 1.417 . . . . 1.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.515 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -82.27 -26.56 33.05 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.633 ' CG ' ' CE1' ' A' ' 37' ' ' PHE . 14.4 tpt180 -82.33 -43.06 17.93 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.997 1.435 . . . . 1.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CE1' ' CG ' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -129.59 86.1 56.67 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.034 1.459 . . . . 1.0 109.298 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.16 0.42 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.472 2.781 . . . . 1.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -64.02 -30.31 71.4 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.982 1.426 . . . . 1.0 109.282 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -51.17 34.17 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.997 1.436 . . . . 1.0 109.331 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -64.13 -20.76 66.2 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.299 -179.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -83.13 -26.38 31.02 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.021 1.451 . . . . 1.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -108.23 10.26 27.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.98 1.425 . . . . 1.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.576 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 65.7 t80 174.78 76.53 0.06 OUTLIER Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.016 1.448 . . . . 1.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 6.6 3.33 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.49 2.793 . . . . 1.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . . . -85.8 25.42 1.1 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.01 1.444 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.576 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 72.7 m95 -69.25 -57.03 5.88 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.951 1.407 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -46.88 -27.62 1.31 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.023 1.452 . . . . 1.0 109.304 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -82.27 -51.77 7.6 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.954 1.409 . . . . 1.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.433 ' CB ' ' OH ' ' A' ' 8' ' ' TYR . 22.0 p -64.56 -51.0 65.07 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.021 1.451 . . . . 1.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.565 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 2.8 pt -62.13 -35.8 70.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.979 1.424 . . . . 1.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 9.4 mtt180 -51.08 -42.83 60.86 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.962 1.414 . . . . 1.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 2.1 m-70 -81.55 -57.68 3.36 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.027 1.454 . . . . 1.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -51.85 -46.3 64.34 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.017 1.448 . . . . 1.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.63 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 22.4 tp -54.21 -52.2 62.02 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.028 1.455 . . . . 1.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 p -70.28 -34.82 73.23 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.991 1.432 . . . . 1.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.2 mp -86.62 17.18 4.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.968 1.418 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 10.5 t30 -100.13 -87.02 0.38 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.06 1.475 . . . . 1.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 41.8 m-20 -82.53 -34.57 27.83 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.052 1.47 . . . . 1.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 89.89 40.72 0.01 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.63 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -69.52 -175.8 0.89 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.983 1.427 . . . . 1.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.77 114.62 46.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.039 1.462 . . . . 1.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -104.38 147.0 28.03 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.008 1.442 . . . . 1.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.593 ' O ' HG12 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -97.38 108.19 43.29 Favored Pre-proline 0 C--O 1.241 0.619 0 O-C-N 125.028 1.455 . . . . 1.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 12.81 1.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.557 2.838 . . . . 1.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 177.88 84.01 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.044 1.465 . . . . 1.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' A' ' 74' ' ' GLY . 7.8 pt-20 . . . . . 0 C--O 1.24 0.578 0 O-C-N 125.009 1.443 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.487 ' O ' ' OE1' ' A' ' 67' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.486 ' HB3' ' CD1' ' A' ' 64' ' ' ILE . 82.1 m-20 -120.09 -175.37 2.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.999 1.058 . . . . 1.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.495 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -146.85 90.11 1.88 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.963 1.414 . . . . 1.0 109.297 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.577 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 4.1 m0 -77.43 137.25 38.58 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.035 1.46 . . . . 1.0 109.27 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 18.7 m -114.02 134.53 54.8 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.488 ' CD1' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -72.31 135.64 46.01 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.995 1.434 . . . . 1.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 1.2 p30 . . . . . 0 C--O 1.24 0.587 0 O-C-N 124.997 1.436 . . . . 1.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.402 ' O ' HD11 ' A' ' 11' ' ' LEU . 66.5 m . . . . . 0 C--O 1.24 0.558 0 CA-C-O 118.35 -0.833 . . . . 1.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -24.26 55.32 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.026 1.454 . . . . 1.0 109.288 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 mm -51.12 -40.0 21.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 125.011 1.444 . . . . 1.0 109.292 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.99 85.61 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.954 1.409 . . . . 1.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.473 ' HG ' ' CZ ' ' A' ' 37' ' ' PHE . 7.0 mp -66.87 -39.45 87.52 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.014 1.446 . . . . 1.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' A' ' 55' ' ' LEU . 41.3 mm -55.46 -45.99 78.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.975 1.422 . . . . 1.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -45.37 -40.21 7.7 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.936 1.397 . . . . 1.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.449 ' CE ' ' HG3' ' A' ' 36' ' ' ARG . 42.8 ttp -80.81 -35.02 33.56 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.998 1.436 . . . . 1.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.53 ' HA ' ' CE1' ' A' ' 32' ' ' PHE . . . -60.1 -54.03 50.79 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.015 1.447 . . . . 1.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.475 HD12 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -64.29 -41.23 91.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.415 . . . . 1.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.85 -37.96 64.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.955 1.41 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -52.01 -20.33 2.35 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.024 1.453 . . . . 1.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.47 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 66.3 m -114.4 81.81 7.04 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.004 1.44 . . . . 1.0 109.304 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.5 Cg_endo -75.05 3.01 6.02 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.505 2.804 . . . . 1.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -110.26 -77.98 0.59 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.004 1.44 . . . . 1.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 5.6 mtmm 163.55 44.32 0.0 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.002 1.439 . . . . 1.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 95.7 3.13 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.032 1.457 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 3.7 mt -119.52 114.82 22.85 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.949 1.405 . . . . 1.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' GLY . 19.7 p -102.87 115.18 30.1 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.022 1.451 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' CD2' ' CZ ' ' A' ' 52' ' ' ARG . 1.3 tp -43.96 -35.16 1.93 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.967 1.417 . . . . 1.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -70.32 -41.23 73.54 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.959 1.412 . . . . 1.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.09 -20.32 70.35 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 109.304 -1.518 . . . . 1.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.2 mp -78.98 -45.77 24.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.97 1.041 . . . . 1.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -60.63 -44.11 96.73 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.009 1.443 . . . . 1.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.37 -23.87 64.72 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.007 1.442 . . . . 1.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -74.08 -45.36 49.79 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.968 1.417 . . . . 1.0 109.345 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -66.05 -50.19 71.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.972 1.42 . . . . 1.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 84.8 p -56.62 -23.46 41.15 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.982 1.426 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -75.45 -51.96 11.82 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.003 1.439 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' HG3' ' CE ' ' A' ' 14' ' ' MET . 12.9 mmt180 -75.77 -51.04 13.52 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.952 1.408 . . . . 1.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CZ ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -115.54 80.9 8.4 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -33.73 4.3 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.535 2.823 . . . . 1.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 2.5 m-85 -75.73 -25.48 56.63 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.623 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -62.21 -51.78 66.4 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 1.0 109.29 -179.349 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 34' ' ' SER . 0.3 OUTLIER -73.63 -29.12 62.16 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.997 1.436 . . . . 1.0 109.304 -179.53 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.74 -13.74 58.72 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.036 1.46 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -121.2 11.2 10.81 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.006 1.441 . . . . 1.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.792 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.9 t80 179.77 65.1 0.13 Allowed Pre-proline 0 C--O 1.24 0.601 0 O-C-N 124.98 1.425 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -75.0 -14.91 20.99 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.531 2.821 . . . . 1.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.49 -10.68 59.8 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.958 1.411 . . . . 1.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.792 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -89.03 12.34 15.81 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.982 1.426 . . . . 1.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.84 -49.27 73.45 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.973 1.421 . . . . 1.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -82.28 -36.79 26.7 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 p -57.26 -54.57 45.34 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.965 1.416 . . . . 1.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 tt -54.71 -30.14 22.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.005 1.44 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.549 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 1.1 mtm180 -70.58 -39.99 73.54 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.972 1.42 . . . . 1.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.455 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 1.9 m170 -61.82 -59.69 4.77 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.0 1.438 . . . . 1.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -61.8 -26.11 67.9 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.943 1.402 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' CD1' HD13 ' A' ' 12' ' ' ILE . 1.1 tp -62.63 -49.26 75.88 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.98 1.425 . . . . 1.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.5 t -83.54 -17.56 41.42 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.437 . . . . 1.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 mp -83.74 -21.85 32.13 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.028 1.455 . . . . 1.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -87.31 -79.3 0.28 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.973 1.421 . . . . 1.0 109.316 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.707 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 3.8 m-20 -56.98 -51.27 69.87 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.991 1.432 . . . . 1.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 81.36 46.13 0.03 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.967 1.417 . . . . 1.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.707 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -88.25 -178.48 5.93 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.059 1.474 . . . . 1.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 75.2 t -117.4 127.36 74.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 1.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.6 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -102.69 165.09 11.26 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.017 1.448 . . . . 1.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.459 ' N ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 pt -114.49 83.58 8.84 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 124.949 1.406 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.0 16.62 0.64 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.517 2.811 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.442 ' H ' ' C ' ' A' ' 64' ' ' ILE . 3.0 ttm-85 175.76 88.02 0.01 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.984 1.428 . . . . 1.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.568 0 O-C-N 124.946 1.404 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 109.32 -1.512 . . . . 1.0 109.32 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.443 ' O ' ' CG2' ' A' ' 25' ' ' THR . 6.4 m-80 -146.56 -160.61 1.18 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.046 1.086 . . . . 1.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 38.2 m-85 -145.84 86.27 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.952 1.407 . . . . 1.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.6 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 5.8 m0 -81.64 125.92 31.14 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.272 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 40.8 p -120.31 143.45 48.36 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.971 1.42 . . . . 1.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.475 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -71.08 135.44 47.71 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.957 1.411 . . . . 1.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.57 0 O-C-N 125.018 1.449 . . . . 1.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.462 ' C ' HD11 ' A' ' 11' ' ' LEU . 1.5 t . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.373 -0.822 . . . . 1.0 109.258 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.799 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 52.7 p90 -51.44 -23.43 3.88 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD12 ' CE2' ' A' ' 8' ' ' TYR . 35.7 mm -67.61 -33.44 62.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.969 1.418 . . . . 1.0 109.357 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.91 3.25 16.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.017 1.448 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.799 ' HB2' ' HA ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -81.76 -42.74 19.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 1.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 1.1 mp -41.91 -33.66 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.991 1.432 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 m -53.17 -36.48 60.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.076 1.485 . . . . 1.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 mtm -81.19 -43.66 18.97 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -57.42 -28.21 63.07 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.974 1.421 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.531 HD12 ' CE2' ' A' ' 61' ' ' PHE . 35.3 mm -85.47 -50.97 14.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.973 1.421 . . . . 1.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.452 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -63.13 -41.84 99.4 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.973 1.421 . . . . 1.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -47.85 -24.85 1.1 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -67.82 114.93 22.97 Favored Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.971 1.42 . . . . 1.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.51 8.82 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.517 2.811 . . . . 1.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -140.2 -84.53 0.23 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.013 1.446 . . . . 1.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 176.23 35.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.993 1.433 . . . . 1.0 109.37 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 24.5 mttp -144.88 113.39 6.65 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.972 1.42 . . . . 1.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -115.63 130.06 56.72 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.039 1.462 . . . . 1.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 75' ' ' ASN . 40.0 p -90.95 112.99 25.11 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.033 1.458 . . . . 1.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -44.58 -25.9 0.31 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.98 1.425 . . . . 1.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.0 m -64.9 -47.39 77.98 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.005 1.441 . . . . 1.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.43 -19.0 69.84 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.47 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 24.7 mm -75.55 -52.92 17.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.001 1.06 . . . . 1.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.4 p -57.59 -34.79 69.61 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.977 1.423 . . . . 1.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -81.81 -30.56 32.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.972 1.42 . . . . 1.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.46 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -62.68 -43.55 98.53 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.456 . . . . 1.0 109.278 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.499 HG21 ' CD2' ' A' ' 37' ' ' PHE . 3.1 mt -71.95 -47.71 54.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.27 -26.34 0.78 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.049 1.468 . . . . 1.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.52 -38.52 91.3 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.943 1.402 . . . . 1.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ILE . 5.6 mmp_? -82.67 -40.86 20.13 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.044 1.465 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.513 ' CZ ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -123.91 81.22 56.32 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.034 1.459 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -37.76 1.94 Allowed 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.488 2.792 . . . . 1.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.501 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -79.46 -2.55 42.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.959 1.412 . . . . 1.0 109.324 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.744 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 1.1 t80 -85.73 -47.33 9.87 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.974 1.421 . . . . 1.0 109.261 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -74.32 -50.58 18.19 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.972 1.42 . . . . 1.0 109.352 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' CG ' ' HA ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -60.65 -14.47 20.84 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.994 1.434 . . . . 1.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -123.5 16.16 9.63 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.994 1.434 . . . . 1.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.754 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.6 t80 178.77 64.34 0.11 Allowed Pre-proline 0 C--O 1.24 0.605 0 O-C-N 124.988 1.43 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -75.01 -10.41 21.18 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.463 2.775 . . . . 1.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.55 -21.12 61.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.96 1.412 . . . . 1.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.754 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -81.96 0.89 37.96 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.029 1.456 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -56.32 -40.68 74.78 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.964 1.415 . . . . 1.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -82.67 -31.66 28.53 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.002 1.439 . . . . 1.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.8 p -58.93 -53.24 60.62 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.493 ' CD1' ' CB ' ' A' ' 8' ' ' TYR . 1.8 tt -57.59 -27.95 30.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.947 1.404 . . . . 1.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -75.9 -35.01 59.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.967 1.417 . . . . 1.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -63.97 -57.3 10.14 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.948 1.405 . . . . 1.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -53.56 -26.11 19.99 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD21 ' CZ3' ' A' ' 77' ' ' TRP . 8.0 tp -72.49 -47.46 48.46 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.994 1.434 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.2 t -83.11 -13.52 55.49 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.982 1.426 . . . . 1.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.6 mm? -88.04 -19.04 27.66 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.06 1.475 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -88.91 -79.92 0.3 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.021 1.451 . . . . 1.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.628 ' CB ' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -63.6 -48.77 76.01 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.012 1.445 . . . . 1.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 80.59 26.93 0.26 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.034 1.459 . . . . 1.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.715 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -64.78 -168.04 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.968 1.417 . . . . 1.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.12 144.15 18.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -132.31 158.37 42.05 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 1.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.576 ' CD1' ' CE2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -118.39 78.89 14.79 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 125.03 1.456 . . . . 1.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -75.06 22.82 0.41 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.484 2.789 . . . . 1.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.474 ' H ' ' C ' ' A' ' 64' ' ' ILE . 0.6 OUTLIER 175.53 72.98 0.01 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.012 1.445 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 C--O 1.24 0.567 0 O-C-N 124.995 1.434 . . . . 1.0 109.293 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.493 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -141.59 -150.12 0.3 Allowed 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.95 1.029 . . . . 1.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.576 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -153.55 133.07 12.9 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.021 1.45 . . . . 1.0 109.318 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.559 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 6.9 m0 -111.65 133.79 53.66 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.036 1.46 . . . . 1.0 109.3 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 75.0 p -104.53 -144.44 0.37 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.037 1.461 . . . . 1.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.715 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -141.96 124.5 15.81 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.015 1.447 . . . . 1.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.548 0 O-C-N 124.968 1.418 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 4.9 m . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.426 -0.797 . . . . 1.0 109.234 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' LEU . 37.6 m-85 -81.85 -71.0 0.5 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.281 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -43.59 -29.28 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 125.029 1.456 . . . . 1.0 109.29 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 7' ' ' SER . . . -69.63 -48.86 58.49 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.977 1.423 . . . . 1.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.537 ' CD1' HD13 ' A' ' 12' ' ' ILE . 1.9 pp -78.74 -25.13 44.5 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.537 HD13 ' CD1' ' A' ' 11' ' ' LEU . 1.2 mp -80.28 -41.71 20.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.3 m -51.43 -39.26 57.0 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.046 1.466 . . . . 1.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.4 ptt? -75.35 -31.2 60.47 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.077 1.486 . . . . 1.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.579 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -63.88 -52.47 59.83 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.036 1.46 . . . . 1.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.4 -45.26 93.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 125.019 1.449 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 13' ' ' THR . 6.4 mp -60.02 -31.58 70.07 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.038 1.461 . . . . 1.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.579 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -49.63 -22.0 1.19 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.947 1.405 . . . . 1.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -110.65 92.94 15.27 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.967 1.417 . . . . 1.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.02 10.3 1.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.514 2.809 . . . . 1.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -117.06 -79.32 0.59 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.968 1.417 . . . . 1.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 8.7 mttt 163.96 39.54 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 1.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.99 111.12 7.84 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.442 . . . . 1.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 16' ' ' ILE . 3.6 mt -121.67 117.08 25.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.968 1.418 . . . . 1.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.408 ' C ' HD11 ' A' ' 29' ' ' ILE . 15.3 p -101.07 116.81 33.71 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.998 1.436 . . . . 1.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.681 HD12 ' CG ' ' A' ' 52' ' ' ARG . 4.4 tt -47.59 -38.56 14.71 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.964 1.415 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -61.98 -44.69 96.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.922 1.389 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -73.71 -39.72 47.67 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.408 HD11 ' C ' ' A' ' 25' ' ' THR . 1.4 mp -56.37 -51.31 65.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 125.031 1.077 . . . . 1.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 t -56.35 -51.7 67.29 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.039 1.462 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -65.66 -26.79 67.95 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.007 1.442 . . . . 1.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -69.27 -39.51 78.35 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.516 HD11 ' CE2' ' A' ' 32' ' ' PHE . 39.0 mm -65.28 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.45 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.9 p -48.02 -22.64 0.63 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.033 1.458 . . . . 1.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -59.29 -37.87 78.76 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.007 1.442 . . . . 1.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HD2' ' SD ' ' A' ' 14' ' ' MET . 0.6 OUTLIER -136.46 17.69 3.14 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.024 1.453 . . . . 1.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.674 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 2.2 m-85 -141.08 51.0 2.15 Favored Pre-proline 0 C--O 1.24 0.557 0 O-C-N 124.949 1.406 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -75.04 -47.54 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.524 2.816 . . . . 1.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -62.66 -18.65 62.73 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.004 1.44 . . . . 1.0 109.314 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.481 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -82.4 -51.59 7.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.004 1.44 . . . . 1.0 109.296 -179.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -62.02 -48.11 81.75 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 1.0 109.313 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 39' ' ' TYR . 10.1 pt-20 -65.88 -18.84 65.61 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.978 1.424 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -93.45 -34.04 13.57 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.996 1.435 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.822 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -149.34 73.53 9.93 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 124.97 1.419 . . . . 1.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -13.11 21.49 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.491 2.794 . . . . 1.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.87 -16.86 42.86 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.03 1.456 . . . . 1.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.822 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -79.85 11.87 3.02 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.981 1.425 . . . . 1.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.29 -50.38 73.11 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.011 1.444 . . . . 1.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.442 ' HA ' ' HB2' ' A' ' 52' ' ' ARG . 15.8 t-20 -74.64 -36.69 62.89 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.002 1.439 . . . . 1.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -42.67 29.19 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.06 1.475 . . . . 1.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 3.1 mt -72.79 -30.16 32.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 125.012 1.445 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.681 ' CG ' HD12 ' A' ' 26' ' ' LEU . 6.7 mtp180 -56.66 -47.06 80.62 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.021 1.451 . . . . 1.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.558 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -57.6 -57.46 12.62 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.996 1.435 . . . . 1.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -32.8 71.58 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.977 1.423 . . . . 1.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.561 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -55.27 -54.56 41.97 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.942 1.401 . . . . 1.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.6 t -77.94 -31.63 51.09 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.02 1.45 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 6.0 mp -82.62 19.74 1.24 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.981 1.425 . . . . 1.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -103.63 -87.11 0.43 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.945 1.403 . . . . 1.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.63 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 9.4 m-20 -85.43 -36.62 20.52 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.985 1.428 . . . . 1.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 22.1 m 90.51 55.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.021 1.451 . . . . 1.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.63 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.11 -167.64 0.42 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.037 1.461 . . . . 1.0 109.326 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.9 m -127.94 118.54 48.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.024 1.452 . . . . 1.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.544 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 8.8 ttpp -90.13 146.3 24.4 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.023 1.452 . . . . 1.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.458 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 1.1 pt -115.86 79.29 7.83 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.964 1.415 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.97 18.0 0.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.525 2.817 . . . . 1.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 64' ' ' ILE . 13.2 ttm180 175.56 84.45 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.947 1.405 . . . . 1.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.598 0 O-C-N 124.988 1.43 . . . . 1.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -158.17 -173.26 4.25 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.99 1.053 . . . . 1.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.415 ' CD2' HD12 ' A' ' 64' ' ' ILE . 6.1 m-85 -133.79 95.99 3.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.962 1.414 . . . . 1.0 109.245 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.551 ' CZ3' ' CD1' ' A' ' 55' ' ' LEU . 7.3 m0 -83.02 129.52 35.04 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.042 1.464 . . . . 1.0 109.306 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.412 ' C ' ' HB3' ' A' ' 61' ' ' PHE . 27.2 m -124.86 143.41 50.85 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.986 1.429 . . . . 1.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.64 121.55 17.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.005 1.44 . . . . 1.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--O 1.24 0.573 0 O-C-N 125.031 1.457 . . . . 1.0 109.32 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.555 0 CA-C-O 118.401 -0.809 . . . . 1.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -63.8 -61.73 2.11 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 10' ' ' ALA . 41.6 pt -55.53 -44.42 76.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.007 1.442 . . . . 1.0 109.293 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -55.58 -27.89 51.89 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.545 HD12 ' CE1' ' A' ' 37' ' ' PHE . 7.1 tt -82.4 -53.03 6.33 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.423 . . . . 1.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.9 mm -48.5 -47.36 14.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.991 1.432 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 10' ' ' ALA . 26.8 p -42.95 -36.0 1.4 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.001 1.438 . . . . 1.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -35.9 28.26 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.974 1.421 . . . . 1.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.586 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -64.0 -44.39 92.8 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.955 1.409 . . . . 1.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.502 HD12 ' CD1' ' A' ' 79' ' ' LEU . 5.9 tp -59.1 -45.85 92.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.455 . . . . 1.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -34.2 10.96 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.011 1.444 . . . . 1.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.586 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 20.4 mm100 -47.24 -32.99 5.01 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.028 1.455 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 21' ' ' GLN . 93.9 p -114.25 86.99 12.66 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.0 1.437 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 19.46 0.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.486 2.791 . . . . 1.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' H ' ' C ' ' A' ' 19' ' ' SER . 1.6 mm-40 -128.46 -87.52 0.55 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.96 1.413 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -178.71 41.27 0.0 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.009 1.443 . . . . 1.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -140.32 103.1 4.5 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.99 1.432 . . . . 1.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.499 ' CD2' HD12 ' A' ' 29' ' ' ILE . 6.6 mt -106.14 132.82 51.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.009 1.443 . . . . 1.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' GLY . 69.9 p -120.47 93.94 4.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.946 1.404 . . . . 1.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD13 ' CZ ' ' A' ' 52' ' ' ARG . 2.5 tm? -42.84 -34.58 0.97 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.033 1.458 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.2 p -58.99 -46.75 87.38 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 1.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -73.63 -39.75 48.22 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.288 -1.525 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.499 HD12 ' CD2' ' A' ' 24' ' ' LEU . 1.8 mp -56.02 -44.66 79.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 125.002 1.06 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.403 ' SG ' ' OE1' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -58.62 -43.98 89.82 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.01 1.443 . . . . 1.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.12 -31.49 72.38 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.964 1.415 . . . . 1.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.511 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -70.49 -49.88 43.77 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.957 1.411 . . . . 1.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.511 HG13 ' CE2' ' A' ' 32' ' ' PHE . 1.9 mt -64.08 -53.49 43.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.993 1.433 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.4 m -44.37 -33.03 1.5 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.952 1.408 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -79.41 -37.77 36.38 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.993 1.433 . . . . 1.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 4.3 mpt_? -74.7 -43.77 53.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.994 1.434 . . . . 1.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CE1' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -128.77 83.33 66.52 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.56 5.27 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.563 2.842 . . . . 1.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.38 -28.35 59.46 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.989 1.431 . . . . 1.0 109.274 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.606 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -61.61 -54.61 40.6 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.0 1.438 . . . . 1.0 109.284 -179.304 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -32.93 72.05 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.97 1.419 . . . . 1.0 109.298 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.47 -5.59 58.79 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.062 1.476 . . . . 1.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -109.04 -47.71 3.39 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.979 1.424 . . . . 1.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.774 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -135.71 74.58 58.39 Favored Pre-proline 0 C--O 1.24 0.596 0 O-C-N 125.016 1.447 . . . . 1.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -10.92 21.26 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.492 2.794 . . . . 1.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.47 -9.99 59.59 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.97 1.419 . . . . 1.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.774 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -87.03 18.46 3.57 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.028 1.455 . . . . 1.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.404 ' O ' HG23 ' A' ' 51' ' ' ILE . 1.5 tp60 -61.45 -48.63 80.28 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.987 1.429 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 9.5 t-20 -83.72 -27.77 28.73 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.944 1.403 . . . . 1.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -54.74 -47.98 73.15 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.013 1.446 . . . . 1.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 48' ' ' GLN . 7.8 tt -65.1 -34.16 68.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.959 1.412 . . . . 1.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' CZ ' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.57 -48.16 81.85 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.977 1.423 . . . . 1.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.458 ' O ' HD21 ' A' ' 57' ' ' LEU . 3.1 t60 -52.91 -48.71 67.03 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.998 1.437 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 58' ' ' ASN . 22.7 m120 -72.55 -29.7 63.8 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.043 1.464 . . . . 1.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.597 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -54.72 -52.67 61.74 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.019 1.45 . . . . 1.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.597 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -76.57 -31.6 57.64 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.013 1.445 . . . . 1.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.458 HD21 ' O ' ' A' ' 53' ' ' HIS . 4.5 mm? -84.86 12.23 7.81 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.971 1.419 . . . . 1.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.464 ' ND2' ' CG2' ' A' ' 12' ' ' ILE . 13.2 t30 -97.27 -77.88 0.49 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.952 1.408 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.74 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.2 m-20 -75.79 -60.6 2.24 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.993 1.433 . . . . 1.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.685 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 21.7 p 128.55 44.25 0.0 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.997 1.435 . . . . 1.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.74 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -104.63 179.83 4.16 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -121.77 164.15 19.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.98 1.425 . . . . 1.0 109.268 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.413 ' HB3' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -123.08 163.88 19.67 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.982 1.426 . . . . 1.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pp -114.07 85.45 10.15 Favored Pre-proline 0 C--O 1.239 0.533 0 O-C-N 124.982 1.426 . . . . 1.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.01 44.68 1.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.515 2.81 . . . . 1.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER 175.31 86.1 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.583 0 O-C-N 124.999 1.437 . . . . 1.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.425 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 7.5 m120 -137.38 -175.45 4.07 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.026 1.074 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.573 ' CD1' ' HD2' ' A' ' 23' ' ' LYS . 8.3 m-85 -134.91 101.92 5.06 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.982 1.426 . . . . 1.0 109.318 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.485 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 8.3 m0 -93.21 141.95 27.85 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.009 1.443 . . . . 1.0 109.27 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 41.5 p -121.62 145.99 47.44 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.038 1.461 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.572 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -85.6 146.08 27.04 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.983 1.427 . . . . 1.0 109.268 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.557 0 O-C-N 124.965 1.416 . . . . 1.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.587 0 CA-C-O 118.398 -0.81 . . . . 1.0 109.337 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.494 ' CE1' HG23 ' A' ' 51' ' ' ILE . 47.1 m-85 -64.64 -42.93 95.11 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.993 1.433 . . . . 1.0 109.265 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.3 pt -49.23 -38.63 11.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.986 1.429 . . . . 1.0 109.294 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.96 -26.7 39.91 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -50.16 12.29 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.03 1.456 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.7 mp -53.94 -54.45 20.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.966 1.416 . . . . 1.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.2 p -44.44 -35.04 2.25 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.038 1.461 . . . . 1.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.419 ' HA ' HD21 ' A' ' 17' ' ' LEU . 3.4 tmm? -82.4 -30.07 30.44 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.019 1.45 . . . . 1.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -76.51 -33.34 58.63 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.033 1.458 . . . . 1.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 12' ' ' ILE . 48.4 mm -64.24 -45.56 95.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.006 1.441 . . . . 1.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -59.88 -29.49 68.35 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 1.0 109.27 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 28.3 mm-40 -42.35 -34.43 0.8 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.025 1.453 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 23' ' ' LYS . 14.7 m -109.77 101.17 45.77 Favored Pre-proline 0 C--O 1.24 0.59 0 O-C-N 125.009 1.443 . . . . 1.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 12.52 1.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.485 2.79 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.567 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.7 mt-30 -118.89 -85.83 0.65 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.974 1.421 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 3.9 ttpp 174.64 41.1 0.0 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.984 1.427 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' O ' ' OG ' ' A' ' 19' ' ' SER . 4.8 mtmm -140.94 106.82 5.14 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.98 1.425 . . . . 1.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 2.2 mt -115.97 121.09 41.24 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.039 1.462 . . . . 1.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 75' ' ' ASN . 25.8 p -102.05 105.91 16.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.998 1.436 . . . . 1.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.467 HD13 ' CH2' ' A' ' 77' ' ' TRP . 3.8 tt -42.86 -35.52 1.21 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.016 1.447 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.9 p -58.58 -48.78 79.78 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.443 . . . . 1.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -16.21 80.89 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 6.1 mm -79.31 -54.1 12.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 125.014 1.067 . . . . 1.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.5 p -55.59 -41.36 73.28 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.023 1.452 . . . . 1.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -74.0 -27.48 60.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.016 1.448 . . . . 1.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -66.12 -38.94 89.4 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.962 1.413 . . . . 1.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.553 HG21 ' CD1' ' A' ' 37' ' ' PHE . 2.8 mt -70.19 -57.03 9.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB2' ' CD ' ' A' ' 41' ' ' ARG . 92.2 p -44.39 -29.49 0.69 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.982 1.426 . . . . 1.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 76.1 m-20 -61.14 -44.29 97.56 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.007 1.442 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.581 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 31.5 mmt-85 -78.68 -40.8 32.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.039 1.462 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -130.26 81.21 68.97 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 125.017 1.448 . . . . 1.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -25.79 11.48 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.492 2.795 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.51 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 33.3 p90 -81.74 -15.42 54.39 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.991 1.432 . . . . 1.0 109.33 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -80.81 -50.95 9.18 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.454 ' CD ' ' HB2' ' A' ' 34' ' ' SER . 0.0 OUTLIER -57.26 -35.27 69.54 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.985 1.428 . . . . 1.0 109.332 -179.573 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.498 ' CG ' ' HA ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -84.1 -6.79 59.46 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 4.6 mmtp -114.78 11.04 16.67 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.959 1.412 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.826 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.9 t80 179.43 68.16 0.13 Allowed Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.998 1.436 . . . . 1.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.36 20.36 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.492 2.795 . . . . 1.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.59 -15.4 63.52 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.826 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -84.24 4.88 28.83 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.986 1.429 . . . . 1.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.412 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -56.38 -47.97 77.83 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.987 1.43 . . . . 1.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -82.28 -25.31 34.15 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.954 1.409 . . . . 1.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.526 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 8.3 t -56.6 -50.87 70.7 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.494 HG23 ' CE1' ' A' ' 8' ' ' TYR . 29.1 pt -57.74 -40.84 77.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.93 1.394 . . . . 1.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' ILE . 12.0 ttm180 -60.02 -47.66 84.92 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.036 1.46 . . . . 1.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -53.91 -52.14 61.5 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 1.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 3.1 t-20 -69.7 -26.36 64.32 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.971 1.419 . . . . 1.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.598 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -55.02 -53.67 52.89 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 1.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 3.0 t -79.05 -24.95 43.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.017 1.448 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -83.59 21.39 1.23 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.013 1.445 . . . . 1.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 2.8 m-80 -112.26 -85.54 0.57 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.058 1.474 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.663 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -84.64 -22.66 29.82 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.006 1.442 . . . . 1.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 1.4 m 74.87 41.76 0.3 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.963 1.414 . . . . 1.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.663 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -77.43 -176.99 4.45 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.068 1.48 . . . . 1.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.4 HG13 ' OG1' ' A' ' 78' ' ' THR . 0.7 OUTLIER -108.96 127.03 65.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.949 1.406 . . . . 1.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -113.99 150.5 33.76 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.003 1.439 . . . . 1.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.484 HD11 ' HB2' ' A' ' 67' ' ' GLU . 1.8 pp -99.68 106.03 37.68 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 124.974 1.421 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.508 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -4.69 15.77 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.494 2.796 . . . . 1.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 17.3 ttt180 170.6 85.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.967 1.417 . . . . 1.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HB2' HD11 ' A' ' 64' ' ' ILE . 2.9 tp10 . . . . . 0 C--O 1.24 0.553 0 O-C-N 125.001 1.438 . . . . 1.0 109.329 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 25' ' ' THR . 1.3 m120 -115.64 -161.57 0.79 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.991 1.053 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -142.45 103.69 4.29 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.974 1.421 . . . . 1.0 109.28 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.562 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 8.3 m95 -105.76 115.26 29.93 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.043 1.464 . . . . 1.0 109.265 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.553 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 72.7 p -117.52 142.55 47.03 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.011 1.444 . . . . 1.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 2.5 mp -70.93 124.83 25.26 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.024 1.452 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.578 0 O-C-N 124.959 1.412 . . . . 1.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.586 0 CA-C-O 118.404 -0.807 . . . . 1.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -80.59 -58.82 2.93 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 1.0 109.273 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -45.26 -38.83 2.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.004 1.44 . . . . 1.0 109.32 -179.528 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.423 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -66.45 -37.66 85.63 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.977 1.423 . . . . 1.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 1.8 mm? -73.86 -47.18 40.08 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.433 . . . . 1.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.8 mp -60.69 -40.97 86.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.983 1.427 . . . . 1.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -42.13 -44.61 3.72 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.945 1.403 . . . . 1.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.1 ttp -82.03 -30.21 31.57 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -60.39 -38.97 85.63 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.984 1.428 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.491 HD12 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -78.68 -45.16 25.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.994 1.434 . . . . 1.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.44 -30.56 5.22 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.96 1.413 . . . . 1.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -45.94 -29.07 1.28 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.05 1.469 . . . . 1.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.435 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 89.3 p -114.56 87.62 14.54 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.71 8.58 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.502 2.802 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -87.56 0.49 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.422 . . . . 1.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.82 39.28 0.0 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.037 1.46 . . . . 1.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 8.3 tttt -139.91 111.91 7.52 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.956 1.41 . . . . 1.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -122.66 137.68 54.83 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 81.3 p -123.66 105.47 9.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 2.9 tm? -47.53 -39.74 17.03 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.014 1.446 . . . . 1.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.7 p -62.14 -40.92 97.58 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 1.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.43 -20.92 65.57 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.257 -1.537 . . . . 1.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 29' ' ' ILE . 11.4 mm -77.28 -51.8 17.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 124.954 1.032 . . . . 1.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.7 p -57.8 -36.97 72.94 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.012 1.445 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.05 -34.0 70.82 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.01 1.444 . . . . 1.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.62 -51.91 65.45 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.004 1.44 . . . . 1.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.536 HG13 ' CE2' ' A' ' 32' ' ' PHE . 2.4 mt -60.37 -29.64 44.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.964 1.415 . . . . 1.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 p -71.24 -35.44 71.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.004 1.44 . . . . 1.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.28 -40.9 25.98 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.928 1.393 . . . . 1.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.531 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 3.6 tpt180 -75.88 -52.07 11.13 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.976 1.423 . . . . 1.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -119.03 80.19 18.43 Favored Pre-proline 0 C--O 1.24 0.591 0 O-C-N 125.021 1.451 . . . . 1.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.0 -34.46 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.526 2.817 . . . . 1.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.8 -16.47 59.44 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.051 1.469 . . . . 1.0 109.317 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.673 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -75.88 -51.63 12.08 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.023 1.452 . . . . 1.0 109.292 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.433 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -77.29 -35.79 54.76 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.942 1.401 . . . . 1.0 109.297 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 1.7 tt0 -58.7 -21.0 53.57 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 1.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -106.76 -29.21 9.69 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.004 1.44 . . . . 1.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.725 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -134.53 70.0 72.4 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.99 1.432 . . . . 1.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.25 20.69 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.514 2.809 . . . . 1.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.86 -24.94 33.02 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 1.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -74.06 -7.73 53.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.001 1.438 . . . . 1.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.2 -34.56 32.34 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.009 1.443 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -83.88 -35.16 24.33 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.024 1.452 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -52.54 65.3 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.963 1.414 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -48.22 -39.19 8.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.985 1.428 . . . . 1.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -66.67 -39.93 88.38 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.952 1.407 . . . . 1.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -62.56 -54.82 33.99 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.055 1.472 . . . . 1.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 35.6 t-20 -63.4 -31.95 73.24 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.99 1.431 . . . . 1.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.579 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 45.8 tp -56.56 -54.08 50.1 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.991 1.432 . . . . 1.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.549 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.3 t -74.5 -26.02 59.74 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.995 1.435 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.53 13.87 6.32 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.964 1.415 . . . . 1.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.457 ' OD1' ' OD2' ' A' ' 59' ' ' ASP . 15.5 t-20 -101.16 -84.18 0.44 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.975 1.422 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.59 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 16.3 m-20 -80.25 -20.84 43.59 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.001 1.438 . . . . 1.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 1.5 m 73.41 35.46 0.89 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.944 1.403 . . . . 1.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.72 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -72.76 -173.79 1.28 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.44 155.24 9.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.002 1.439 . . . . 1.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.571 ' CB ' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.8 160.37 31.08 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.984 1.427 . . . . 1.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.573 ' CD1' ' CD2' ' A' ' 76' ' ' TYR . 18.5 mt -97.18 107.86 40.7 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.969 1.418 . . . . 1.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.02 -21.74 15.5 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.48 2.787 . . . . 1.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER 174.53 77.2 0.0 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.029 1.456 . . . . 1.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.239 0.547 0 O-C-N 124.956 1.41 . . . . 1.0 109.297 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.503 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.5 OUTLIER -138.72 -175.21 4.06 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.041 . . . . 1.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.573 ' CD2' ' CD1' ' A' ' 64' ' ' ILE . 5.5 m-85 -132.76 83.73 2.09 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.964 1.415 . . . . 1.0 109.312 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.571 ' CE2' ' CB ' ' A' ' 63' ' ' LYS . 9.2 m0 -80.72 135.44 36.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.99 1.431 . . . . 1.0 109.298 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.555 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 45.6 p -107.56 -150.34 0.45 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.994 1.433 . . . . 1.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.72 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -144.12 108.19 4.75 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.943 1.402 . . . . 1.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 1.4 p30 . . . . . 0 C--O 1.24 0.577 0 O-C-N 124.984 1.427 . . . . 1.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 1.5 m . . . . . 0 C--O 1.239 0.542 0 CA-C-O 118.377 -0.821 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.601 ' CG ' ' ND2' ' A' ' 54' ' ' ASN . 88.1 m-85 -58.36 -40.47 82.3 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.983 1.427 . . . . 1.0 109.298 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -54.12 -35.27 28.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.968 1.417 . . . . 1.0 109.279 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . -68.49 -36.65 79.23 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.986 1.429 . . . . 1.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.535 HD13 ' CE2' ' A' ' 37' ' ' PHE . 3.3 mm? -71.35 -44.24 65.43 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.033 1.458 . . . . 1.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' ALA . 40.5 mm -62.29 -51.49 71.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 124.993 1.433 . . . . 1.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 2.6 m -40.17 -42.18 1.42 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.951 1.407 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.474 ' CE ' ' HG3' ' A' ' 36' ' ' ARG . 7.8 ttp -80.01 -36.49 35.84 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.974 1.422 . . . . 1.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . . . -64.06 -59.14 4.83 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.035 1.459 . . . . 1.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 ' CD2' ' A' ' 24' ' ' LEU . 8.6 tp -53.84 -38.49 36.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.553 0 O-C-N 124.989 1.431 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 13' ' ' THR . 1.9 mp -61.96 -39.75 93.21 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.035 1.459 . . . . 1.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -49.66 -25.18 2.66 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 1.0 109.251 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.445 ' OG ' HD11 ' A' ' 24' ' ' LEU . 30.2 m -115.21 83.4 10.09 Favored Pre-proline 0 C--O 1.24 0.592 0 O-C-N 124.961 1.413 . . . . 1.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 12.63 1.18 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.528 2.819 . . . . 1.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -109.34 -79.34 0.58 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.989 1.431 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 3.0 pttt 163.49 48.61 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.024 1.453 . . . . 1.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -143.3 107.88 4.84 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.001 1.438 . . . . 1.0 109.286 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.518 ' CD2' HD13 ' A' ' 16' ' ' ILE . 2.7 mm? -126.18 101.88 6.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.984 1.427 . . . . 1.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 29.0 p -85.46 108.13 17.74 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.003 1.439 . . . . 1.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.504 HD13 ' CH2' ' A' ' 77' ' ' TRP . 7.4 tt -42.1 -33.12 0.54 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.02 1.45 . . . . 1.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 m -64.68 -44.45 90.3 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 1.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.26 -20.65 74.85 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.301 -1.519 . . . . 1.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.18 -51.97 64.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.989 1.052 . . . . 1.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.7 t -64.88 -47.73 76.8 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.997 1.436 . . . . 1.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 2.2 pt-20 -65.21 -29.97 70.82 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.041 1.463 . . . . 1.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 15' ' ' ALA . 2.1 t80 -62.21 -50.03 73.39 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.982 1.427 . . . . 1.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.484 ' CD1' HG12 ' A' ' 51' ' ' ILE . 1.3 mt -63.51 -16.69 18.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.989 1.43 . . . . 1.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -41.13 18.24 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.967 1.417 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.522 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -85.68 16.69 3.77 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.015 1.447 . . . . 1.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HG3' ' CE ' ' A' ' 14' ' ' MET . 11.9 mmt-85 -141.35 -47.49 0.39 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.014 1.446 . . . . 1.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.535 ' CE2' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -129.64 74.09 81.03 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 124.97 1.419 . . . . 1.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -34.79 3.66 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.523 2.815 . . . . 1.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -55.1 -29.41 57.58 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.941 1.401 . . . . 1.0 109.272 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HB3' ' CZ2' ' A' ' 47' ' ' TRP . 4.5 m-85 -79.45 -52.2 8.36 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.022 1.451 . . . . 1.0 109.341 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -53.86 -46.55 71.32 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.038 1.461 . . . . 1.0 109.309 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -29.59 69.86 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -43.79 13.37 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.44 . . . . 1.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.3 t80 -146.0 88.79 6.25 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.973 1.421 . . . . 1.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 11.56 1.4 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.492 2.795 . . . . 1.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -85.87 26.95 0.92 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.968 1.417 . . . . 1.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 96.8 m95 -68.19 -56.23 9.48 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.946 1.404 . . . . 1.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 3.4 tm0? -40.75 -28.16 0.07 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.963 1.415 . . . . 1.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -80.43 -49.36 11.54 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.991 1.432 . . . . 1.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.456 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 27.9 m -82.07 -64.48 1.17 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.966 1.416 . . . . 1.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.566 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.5 tp -39.78 -38.7 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.986 1.429 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 29.8 ttt-85 -60.05 -50.12 74.96 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.066 1.479 . . . . 1.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.454 ' C ' HD21 ' A' ' 57' ' ' LEU . 10.1 m-70 -70.66 -54.83 10.4 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.011 1.444 . . . . 1.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.601 ' ND2' ' CG ' ' A' ' 8' ' ' TYR . 62.3 m-80 -53.81 -44.89 70.58 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.969 1.418 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.698 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 10.6 tp -54.09 -52.65 60.3 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.969 1.418 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.4 p -68.65 -40.32 80.27 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.031 1.457 . . . . 1.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -88.39 25.47 1.66 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.031 1.457 . . . . 1.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.514 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 9.4 t-20 -106.45 -85.22 0.5 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.437 . . . . 1.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 75.5 m-20 -82.06 -26.75 33.42 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.991 1.432 . . . . 1.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 63.4 m 80.81 40.47 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.02 1.45 . . . . 1.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -77.26 -173.87 3.01 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.058 1.474 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 70.9 t -106.85 140.94 23.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.972 1.42 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.641 ' CB ' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -115.71 138.06 51.48 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.995 1.434 . . . . 1.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -76.01 123.36 88.11 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.953 1.408 . . . . 1.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 45.37 1.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.466 2.778 . . . . 1.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 58.21 70.78 0.62 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.985 1.428 . . . . 1.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.239 0.54 0 O-C-N 125.016 1.448 . . . . 1.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.49 ' O ' ' CG2' ' A' ' 25' ' ' THR . 58.8 m-80 -123.98 -172.0 2.44 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.027 1.075 . . . . 1.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.443 ' CD1' ' HG2' ' A' ' 23' ' ' LYS . 20.5 m-85 -127.77 75.4 1.6 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.956 1.41 . . . . 1.0 109.285 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.641 ' CE2' ' CB ' ' A' ' 63' ' ' LYS . 11.3 m0 -74.45 130.56 39.86 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.99 1.432 . . . . 1.0 109.302 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.577 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -140.47 150.32 43.64 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 1.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.547 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -62.56 135.89 57.62 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.019 1.449 . . . . 1.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 54.7 p30 . . . . . 0 C--O 1.24 0.562 0 O-C-N 125.001 1.438 . . . . 1.0 109.317 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 1.9 p . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.429 -0.796 . . . . 1.0 109.231 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ3' ' A' ' 47' ' ' TRP . 20.0 m-85 -85.45 -79.29 0.24 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.994 1.434 . . . . 1.0 109.288 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.536 HG12 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -39.7 -45.83 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.954 1.409 . . . . 1.0 109.302 -179.561 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.536 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -58.51 -46.2 87.22 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.99 1.431 . . . . 1.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 8' ' ' TYR . 11.7 mt -60.09 -40.65 90.34 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.048 1.468 . . . . 1.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.499 HD13 ' CD1' ' A' ' 55' ' ' LEU . 40.3 mm -72.15 -44.25 65.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 125.027 1.455 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -52.28 -42.5 63.77 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.945 1.403 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.485 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 4.9 ptm -81.9 -17.86 45.72 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.961 1.413 . . . . 1.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -81.66 -48.73 11.34 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 12' ' ' ILE . 4.8 mm -56.29 -54.51 26.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.944 1.403 . . . . 1.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 1.1 pp -56.58 -30.67 63.45 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.971 1.42 . . . . 1.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -55.54 -22.57 22.17 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.001 1.438 . . . . 1.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.8 p -117.72 82.72 16.73 Favored Pre-proline 0 C--O 1.239 0.546 0 O-C-N 124.984 1.427 . . . . 1.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 10.01 1.87 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.524 2.816 . . . . 1.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -96.47 -85.35 0.34 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.032 1.458 . . . . 1.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 0.7 OUTLIER 163.3 44.68 0.0 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.941 1.401 . . . . 1.0 109.352 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.69 111.58 6.4 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.436 . . . . 1.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.508 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 2.6 mm? -111.49 87.93 2.67 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.002 1.439 . . . . 1.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 3.0 m -89.79 103.32 15.98 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.984 1.428 . . . . 1.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -43.06 -34.37 1.02 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.981 1.426 . . . . 1.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.432 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 3.6 m -53.47 -46.7 70.03 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.012 1.445 . . . . 1.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 32' ' ' PHE . . . -77.92 -17.74 78.05 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.8 mm -76.81 -52.24 17.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.975 1.044 . . . . 1.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.0 p -56.92 -45.19 82.85 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.004 1.44 . . . . 1.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.7 -23.8 59.85 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.991 1.432 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 8.6 t80 -72.64 -44.9 61.3 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.968 1.418 . . . . 1.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.403 HD11 ' CD2' ' A' ' 32' ' ' PHE . 35.3 mm -62.9 -48.69 86.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.001 1.438 . . . . 1.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -72.61 -18.87 61.55 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 125.015 1.447 . . . . 1.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.18 -39.33 82.18 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.032 1.458 . . . . 1.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -90.92 -39.34 12.33 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.994 1.433 . . . . 1.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.454 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -123.13 84.88 51.31 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.992 1.432 . . . . 1.0 109.358 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -28.07 9.58 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.51 2.807 . . . . 1.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -71.71 -31.83 67.14 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.933 1.396 . . . . 1.0 109.262 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -42.48 90.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.055 1.472 . . . . 1.0 109.326 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -64.45 -33.04 74.95 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.986 1.429 . . . . 1.0 109.257 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -33.05 74.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.961 1.413 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -84.04 -32.87 24.63 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 1.2 t80 -150.91 90.72 4.12 Favored Pre-proline 0 C--O 1.239 0.509 0 O-C-N 124.959 1.412 . . . . 1.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 8.63 2.34 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.488 2.792 . . . . 1.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.602 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . . . -83.62 19.7 1.57 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.996 1.435 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.486 ' CZ3' ' CZ ' ' A' ' 8' ' ' TYR . 58.1 m95 -75.88 -3.58 36.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.966 1.416 . . . . 1.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 10.4 tt0 -86.14 -46.89 10.0 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.026 1.454 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.453 ' HA ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -87.84 -40.09 14.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.002 1.439 . . . . 1.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.6 m -56.58 -67.51 0.3 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.964 1.415 . . . . 1.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -58.93 -24.34 26.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.957 1.411 . . . . 1.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -56.34 -43.18 78.8 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.969 1.418 . . . . 1.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.511 ' CE1' HD23 ' A' ' 57' ' ' LEU . 9.0 t60 -72.47 -51.15 21.41 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.037 1.461 . . . . 1.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.582 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 4.9 m120 -69.33 -7.1 34.15 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.961 1.413 . . . . 1.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.536 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 5.5 tp -85.58 -46.32 10.92 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.982 1.426 . . . . 1.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.604 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 40.1 t -79.82 -46.65 16.53 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.027 1.455 . . . . 1.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.582 ' CD2' ' HA ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -57.91 -23.17 52.19 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.421 . . . . 1.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.516 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 28.2 t-20 -76.3 -67.21 0.71 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.02 1.45 . . . . 1.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.8 OUTLIER -81.34 -57.27 3.56 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.977 1.423 . . . . 1.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 99.87 25.07 0.0 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.435 . . . . 1.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -68.14 178.15 1.98 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.98 1.425 . . . . 1.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.654 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 4.9 m -100.82 137.96 26.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.95 1.407 . . . . 1.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.593 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -118.04 125.24 49.96 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.051 1.469 . . . . 1.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.486 ' O ' HG13 ' A' ' 64' ' ' ILE . 21.9 pt -77.76 117.29 64.81 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.998 1.436 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 62.11 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.561 2.841 . . . . 1.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 0.6 OUTLIER 64.75 75.43 0.37 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.005 1.441 . . . . 1.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' OE2' ' HB ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.578 0 O-C-N 124.957 1.411 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.614 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 39.7 m-80 -116.86 -171.07 1.95 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.055 1.091 . . . . 1.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 10.8 m-85 -145.0 118.48 9.07 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.015 1.447 . . . . 1.0 109.254 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.654 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.8 m0 -104.16 134.82 46.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.977 1.423 . . . . 1.0 109.279 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.61 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 6.3 p -124.42 146.6 48.8 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.983 1.427 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 6.7 mp -65.23 139.98 58.69 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.958 1.411 . . . . 1.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.513 ' OD1' ' CG1' ' A' ' 62' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.573 0 O-C-N 124.978 1.424 . . . . 1.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.566 0 CA-C-O 118.389 -0.815 . . . . 1.0 109.34 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.433 ' OH ' ' HB2' ' A' ' 50' ' ' SER . 0.8 OUTLIER -83.16 -74.78 0.35 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.022 1.452 . . . . 1.0 109.297 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 58' ' ' ASN . 1.5 tp -59.94 -30.18 44.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.989 1.43 . . . . 1.0 109.295 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.22 -33.62 58.73 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.002 1.439 . . . . 1.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -80.84 -31.44 35.48 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.933 1.396 . . . . 1.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -62.43 -56.51 17.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 124.965 1.416 . . . . 1.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.9 p -43.22 -37.11 2.0 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.7 mtm -65.09 -41.81 94.65 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.04 1.462 . . . . 1.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -55.75 -30.35 61.08 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.424 . . . . 1.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.495 HD12 ' CE2' ' A' ' 61' ' ' PHE . 30.8 mm -80.2 -43.17 22.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.959 1.412 . . . . 1.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.94 -42.82 72.77 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.979 1.424 . . . . 1.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -50.94 -23.51 2.93 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.917 1.385 . . . . 1.0 109.233 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 m -113.56 89.33 15.17 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.973 1.421 . . . . 1.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 2.04 7.09 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.526 2.817 . . . . 1.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 47.0 tt0 -110.21 -80.14 0.58 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.0 1.438 . . . . 1.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 166.36 48.44 0.0 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.977 1.423 . . . . 1.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -134.55 93.91 3.12 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.012 1.445 . . . . 1.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 3.8 mm? -110.24 117.77 34.56 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.046 1.466 . . . . 1.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 75' ' ' ASN . 33.8 p -104.5 107.37 18.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.966 1.416 . . . . 1.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD13 ' CH2' ' A' ' 77' ' ' TRP . 10.4 tt -45.26 -36.58 4.08 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.018 1.449 . . . . 1.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 p -62.59 -45.34 93.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.051 1.469 . . . . 1.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -73.91 -35.26 54.56 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.326 -1.51 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.79 -48.05 81.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 125.01 1.065 . . . . 1.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 t -55.98 -53.08 61.26 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.976 1.422 . . . . 1.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -65.61 -33.14 75.2 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.984 1.428 . . . . 1.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.617 ' CD2' HD11 ' A' ' 33' ' ' ILE . 2.0 t80 -61.05 -41.83 97.33 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.968 1.417 . . . . 1.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.617 HD11 ' CD2' ' A' ' 32' ' ' PHE . 5.8 mm -69.01 -39.04 79.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.431 . . . . 1.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -74.94 -21.3 59.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.959 1.412 . . . . 1.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.84 -47.35 75.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.049 1.468 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -80.88 -37.88 29.02 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.067 1.479 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.85 86.2 30.12 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.95 1.406 . . . . 1.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.37 1.24 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.489 2.793 . . . . 1.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 8.9 m-85 -70.18 -27.73 64.75 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.017 1.448 . . . . 1.0 109.334 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -64.73 -48.82 73.2 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.98 1.425 . . . . 1.0 109.319 -179.38 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.93 -46.04 83.32 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -58.12 -24.1 57.47 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.965 1.416 . . . . 1.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -96.73 -32.36 12.2 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.032 1.458 . . . . 1.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.658 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.5 t80 -152.04 85.58 4.66 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 124.996 1.435 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 11.39 1.45 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.516 2.811 . . . . 1.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -84.97 27.28 0.78 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.958 1.411 . . . . 1.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 96.2 m95 -81.51 24.64 0.56 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.001 1.438 . . . . 1.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -81.49 -78.78 0.18 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.011 1.444 . . . . 1.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' ARG . 27.3 t-20 -82.94 -32.49 27.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.006 1.441 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.437 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 5.7 p -41.9 -26.6 0.09 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.984 1.427 . . . . 1.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -107.07 -27.24 3.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.02 1.45 . . . . 1.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -59.76 -23.97 63.68 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.995 1.435 . . . . 1.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.529 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -73.07 -56.8 4.62 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.978 1.424 . . . . 1.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.45 -28.11 60.89 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.426 . . . . 1.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.613 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 32.2 tp -58.28 -59.8 4.77 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.004 1.44 . . . . 1.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -69.86 -27.67 65.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.997 1.435 . . . . 1.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.529 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 1.2 tt -90.75 17.7 7.35 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.476 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 12.1 t30 -103.37 -89.8 0.38 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.029 1.455 . . . . 1.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 24.8 m-20 -83.18 -3.9 57.84 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.008 1.442 . . . . 1.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.577 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 13.5 p 52.0 65.78 1.4 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -95.09 178.39 5.56 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.972 1.42 . . . . 1.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -101.0 112.08 32.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.998 1.436 . . . . 1.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.68 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -85.13 146.76 26.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.983 1.427 . . . . 1.0 109.276 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 1.1 pp -115.67 82.79 10.56 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.972 1.42 . . . . 1.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 5.42 4.0 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.511 2.807 . . . . 1.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.21 91.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.993 1.433 . . . . 1.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.57 0 O-C-N 124.95 1.406 . . . . 1.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 109.354 -1.498 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.603 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 32.1 m-20 -128.8 -172.02 2.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.067 1.098 . . . . 1.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 16.7 m-85 -146.45 101.12 3.44 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.037 1.461 . . . . 1.0 109.303 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.68 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 5.2 m0 -98.55 130.57 45.12 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.037 1.461 . . . . 1.0 109.285 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 43.1 p -118.44 142.18 47.81 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.978 1.424 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.33 132.66 48.86 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.019 1.45 . . . . 1.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--O 1.24 0.581 0 O-C-N 124.989 1.431 . . . . 1.0 109.269 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.565 0 CA-C-O 118.43 -0.795 . . . . 1.0 109.293 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.407 ' OH ' ' OG ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -80.7 -60.83 2.16 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.952 1.407 . . . . 1.0 109.267 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 10' ' ' ALA . 2.4 pp -54.67 -44.98 72.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.018 1.449 . . . . 1.0 109.292 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' HB2' ' CB ' ' A' ' 7' ' ' SER . . . -60.67 -24.13 65.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.005 1.441 . . . . 1.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.517 ' CD1' ' NH2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -77.63 -53.2 7.85 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.004 1.44 . . . . 1.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.455 HG22 ' CB ' ' A' ' 58' ' ' ASN . 1.6 mp -58.0 -47.73 85.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.029 1.456 . . . . 1.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.479 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.5 p -43.87 -34.82 1.74 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.948 1.405 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.485 ' CE ' ' NH2' ' A' ' 36' ' ' ARG . 3.0 ttp -83.22 -35.8 25.12 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.019 1.449 . . . . 1.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.63 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -55.55 -49.06 73.69 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.018 1.449 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.495 HD12 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -56.32 -42.72 74.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 1.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 13' ' ' THR . 53.1 mt -48.78 -40.27 28.33 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.029 1.456 . . . . 1.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.63 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 9.6 mm100 -45.08 -24.35 0.23 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.002 1.439 . . . . 1.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.489 ' CB ' ' HG ' ' A' ' 24' ' ' LEU . 77.3 p -111.52 90.56 12.54 Favored Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.006 1.441 . . . . 1.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 15.29 0.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.541 2.827 . . . . 1.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.426 ' H ' ' C ' ' A' ' 19' ' ' SER . 58.5 tp60 -130.7 -85.96 0.51 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.007 1.442 . . . . 1.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.34 40.8 0.0 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.985 1.428 . . . . 1.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -141.51 106.75 5.0 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.046 1.466 . . . . 1.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.489 ' HG ' ' CB ' ' A' ' 19' ' ' SER . 13.0 mt -120.57 125.03 46.77 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.009 1.443 . . . . 1.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' GLY . 18.3 p -102.8 114.07 28.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.429 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.452 ' CD2' ' HD2' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -42.73 -34.62 0.94 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.056 1.472 . . . . 1.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -66.72 -41.56 87.74 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.002 1.438 . . . . 1.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.19 -22.3 68.47 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.22 -52.28 15.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.946 1.027 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.82 -35.73 79.08 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.028 1.455 . . . . 1.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -38.38 81.78 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.975 1.422 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.481 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.92 -54.92 40.43 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.992 1.432 . . . . 1.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.481 HG13 ' CD2' ' A' ' 32' ' ' PHE . 14.1 mt -60.03 -57.96 9.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 125.021 1.451 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -53.79 -23.41 11.97 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.925 1.39 . . . . 1.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 32' ' ' PHE . 2.8 t-20 -59.38 -42.49 91.81 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.016 1.447 . . . . 1.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.517 ' NH2' ' CD1' ' A' ' 11' ' ' LEU . 1.2 ptt180 -123.23 37.01 4.51 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.014 1.446 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.462 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 5.7 m-85 -136.03 62.69 47.41 Favored Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -75.04 -65.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.454 2.769 . . . . 1.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -67.05 -17.91 65.11 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.982 1.426 . . . . 1.0 109.316 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.405 ' HB3' ' NE1' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -78.74 -48.94 13.92 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.432 . . . . 1.0 109.318 -179.333 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -38.01 84.01 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.933 1.396 . . . . 1.0 109.281 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.08 -43.38 92.38 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.929 1.393 . . . . 1.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -53.73 11.02 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.029 1.456 . . . . 1.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.56 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.0 t80 -131.71 93.11 28.92 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.984 1.427 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 2.53 6.52 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.534 2.822 . . . . 1.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.509 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -85.43 25.52 1.02 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.987 1.43 . . . . 1.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 52.8 m95 -69.45 -30.27 68.14 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.039 1.462 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -70.39 -47.75 59.39 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.983 1.427 . . . . 1.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -76.37 -53.46 8.14 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.962 1.414 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.417 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 83.0 p -47.88 -52.03 20.84 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.993 1.433 . . . . 1.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.544 ' CG1' ' O ' ' A' ' 47' ' ' TRP . 13.4 mm -66.5 -40.58 86.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 125.002 1.439 . . . . 1.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.452 ' HD2' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -47.67 -39.6 17.73 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.026 1.454 . . . . 1.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -81.63 -56.95 3.68 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.029 1.456 . . . . 1.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.528 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -53.08 -41.83 65.29 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.024 1.453 . . . . 1.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD21 ' CZ3' ' A' ' 77' ' ' TRP . 18.7 tp -53.19 -49.68 66.22 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.969 1.418 . . . . 1.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.592 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.3 t -82.59 -20.26 36.83 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.917 1.386 . . . . 1.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.0 tp -84.59 -5.55 59.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.951 1.407 . . . . 1.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.455 ' CB ' HG22 ' A' ' 12' ' ' ILE . 1.7 t-20 -96.94 -73.7 0.59 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.027 1.454 . . . . 1.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 2.9 m-20 -84.04 -39.72 19.26 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.012 1.445 . . . . 1.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 56' ' ' SER . 1.2 m 77.83 36.47 0.25 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.13 -175.91 0.37 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.002 1.439 . . . . 1.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.55 ' CG2' ' OG1' ' A' ' 78' ' ' THR . 11.7 m -105.51 121.57 57.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.977 1.423 . . . . 1.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.606 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 4.6 pttp -104.67 143.01 33.67 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.661 HD12 ' CD1' ' A' ' 76' ' ' TYR . 4.3 pt -104.14 104.78 45.77 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.0 1.438 . . . . 1.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.551 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.03 3.75 5.36 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.5 2.8 . . . . 1.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.551 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 52.6 ttt180 169.28 90.24 0.0 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.002 1.439 . . . . 1.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.569 0 O-C-N 124.952 1.408 . . . . 1.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.495 ' O ' ' CG2' ' A' ' 25' ' ' THR . 81.1 m-20 -155.18 178.07 10.62 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.045 1.085 . . . . 1.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.661 ' CD1' HD12 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -129.24 77.3 1.78 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.024 1.453 . . . . 1.0 109.301 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.606 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 8.0 m0 -73.33 126.52 30.31 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.026 1.454 . . . . 1.0 109.302 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.55 ' OG1' ' CG2' ' A' ' 62' ' ' VAL . 73.0 p -121.4 139.21 53.74 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.531 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -68.19 132.16 46.68 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 t0 . . . . . 0 C--O 1.239 0.549 0 O-C-N 125.031 1.457 . . . . 1.0 109.274 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.491 ' CB ' ' CD1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.534 0 CA-C-O 118.431 -0.795 . . . . 1.0 109.267 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -56.6 -27.66 58.65 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.971 1.42 . . . . 1.0 109.318 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.491 ' CD1' ' CB ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -79.22 4.0 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.993 1.433 . . . . 1.0 109.317 -179.521 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.8 -39.58 2.95 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.979 1.424 . . . . 1.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.545 HD13 ' CE2' ' A' ' 37' ' ' PHE . 3.3 mm? -69.97 -49.15 54.6 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.961 1.413 . . . . 1.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.3 mm -69.17 -41.14 81.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.974 1.421 . . . . 1.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -48.67 -36.2 15.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.955 1.409 . . . . 1.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.474 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -83.35 -28.49 28.94 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.941 1.401 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.551 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -77.81 -40.7 39.7 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.017 1.448 . . . . 1.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 ' CE2' ' A' ' 61' ' ' PHE . 4.4 tp -61.93 -49.02 85.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.039 1.462 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 1.5 pp -63.65 -30.77 71.83 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.951 1.407 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.87 -23.45 2.82 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.018 1.449 . . . . 1.0 109.35 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.566 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 3.0 p -117.31 77.82 10.19 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 31.97 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.583 2.855 . . . . 1.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -126.03 -89.01 0.57 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.985 1.428 . . . . 1.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 173.37 40.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.048 1.468 . . . . 1.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -143.12 90.87 2.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.986 1.429 . . . . 1.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.566 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -102.64 103.41 13.69 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.035 1.459 . . . . 1.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.1 p -89.25 106.78 18.67 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.95 1.406 . . . . 1.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -50.24 -40.57 48.08 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.0 1.437 . . . . 1.0 109.235 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -43.63 98.42 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.97 1.419 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.63 -36.14 54.26 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.98 -47.6 76.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.051 . . . . 1.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' SG ' ' HG3' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -62.23 -41.07 98.08 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.042 1.464 . . . . 1.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.27 -27.13 67.7 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.356 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.488 ' CE2' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -81.61 -41.59 21.28 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.487 HG13 ' CE1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -73.28 -36.8 50.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.965 1.415 . . . . 1.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.3 p -71.06 -20.33 62.38 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.979 1.424 . . . . 1.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -79.8 -56.91 3.94 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.982 1.426 . . . . 1.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 1.7 ptp180 -74.39 -39.27 62.8 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.975 1.422 . . . . 1.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 1.8 m-85 -118.59 72.81 10.82 Favored Pre-proline 0 C--O 1.241 0.617 0 O-C-N 124.977 1.423 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HD3' ' C ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -74.98 -40.08 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.541 2.827 . . . . 1.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 25.9 t80 -62.51 -18.18 61.35 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.005 1.441 . . . . 1.0 109.313 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.703 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -81.15 -44.34 18.03 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.006 1.441 . . . . 1.0 109.325 -179.36 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -43.2 20.88 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.0 1.437 . . . . 1.0 109.285 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.43 -12.18 55.81 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.419 . . . . 1.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -113.32 -37.83 4.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.449 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.858 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 1.1 t80 -132.84 66.85 77.25 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.961 1.413 . . . . 1.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.91 21.23 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.51 2.806 . . . . 1.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.95 -5.98 58.75 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.425 . . . . 1.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.858 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -84.46 10.39 10.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.956 1.41 . . . . 1.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' O ' HD11 ' A' ' 51' ' ' ILE . 43.6 tt0 -52.03 -50.87 60.58 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.07 -24.68 32.62 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 t -52.47 -44.84 65.82 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.043 1.464 . . . . 1.0 109.254 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.497 HG12 ' N ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -82.48 -30.66 9.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.025 1.453 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.497 ' N ' HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.22 -46.08 68.95 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 1.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -57.77 -57.21 13.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.013 1.445 . . . . 1.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -62.21 -28.39 69.65 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.011 1.445 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.592 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -59.38 -53.68 55.38 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.986 1.429 . . . . 1.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -77.88 -29.18 50.13 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.987 1.429 . . . . 1.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -84.38 18.61 2.16 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.994 1.434 . . . . 1.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 8.1 t-20 -105.14 -86.17 0.47 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.99 1.431 . . . . 1.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -83.71 -35.89 24.12 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.007 1.442 . . . . 1.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 75.8 m 89.48 43.63 0.01 OUTLIER 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.044 1.465 . . . . 1.0 109.336 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.01 -168.15 0.13 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.963 1.414 . . . . 1.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -119.14 115.16 46.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 125.062 1.476 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HE3' ' CH2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -107.03 129.35 54.82 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.96 1.413 . . . . 1.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.03 113.14 41.07 Favored Pre-proline 0 C--O 1.239 0.535 0 O-C-N 124.989 1.43 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 2.81 6.19 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.542 2.828 . . . . 1.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.69 71.37 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 1.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 75' ' ' ASN . 1.6 pm0 . . . . . 0 C--O 1.24 0.559 0 O-C-N 125.053 1.471 . . . . 1.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.611 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 4.2 m-80 -133.64 -159.67 0.98 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.004 1.061 . . . . 1.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 7.8 m-85 -146.15 85.07 1.66 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.998 1.436 . . . . 1.0 109.297 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.523 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 10.4 m0 -78.64 133.5 37.24 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.982 1.426 . . . . 1.0 109.302 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 5.1 p -120.44 132.83 55.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.022 1.451 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.57 123.15 20.06 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.985 1.428 . . . . 1.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 4.2 p-10 . . . . . 0 C--O 1.24 0.566 0 O-C-N 125.008 1.443 . . . . 1.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 1.3 m . . . . . 0 C--O 1.24 0.571 0 CA-C-O 118.404 -0.808 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' LEU . 2.9 m-85 -77.16 -68.37 0.62 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.976 1.423 . . . . 1.0 109.274 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' CG2' ' A' ' 13' ' ' THR . 0.2 OUTLIER -46.97 -36.62 3.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 125.029 1.456 . . . . 1.0 109.298 -179.539 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB2' ' CB ' ' A' ' 7' ' ' SER . . . -69.46 -32.46 71.4 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.489 HD13 ' CG1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -71.04 -50.93 28.69 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.971 1.42 . . . . 1.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.472 HG13 ' CD2' ' A' ' 55' ' ' LEU . 1.5 mp -58.76 -53.59 45.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.996 1.435 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 20.5 p -42.56 -36.79 1.47 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.994 1.434 . . . . 1.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -80.71 -38.46 28.83 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.015 1.447 . . . . 1.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -62.41 -46.03 90.43 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.012 1.445 . . . . 1.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.401 ' CD1' ' HG ' ' A' ' 24' ' ' LEU . 22.5 mm -65.19 -44.96 95.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.974 1.421 . . . . 1.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -43.53 94.03 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.012 1.445 . . . . 1.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -50.75 -22.07 1.94 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.017 1.448 . . . . 1.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 21' ' ' GLN . 1.9 p -118.22 76.97 12.59 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 124.995 1.435 . . . . 1.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.01 32.54 0.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.497 2.798 . . . . 1.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.496 ' O ' ' CE ' ' A' ' 22' ' ' LYS . 44.5 tp60 -122.86 -85.93 0.65 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.996 1.435 . . . . 1.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 170.84 42.41 0.0 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.98 1.425 . . . . 1.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -141.25 108.51 5.51 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 29' ' ' ILE . 4.3 mm? -120.32 64.62 0.83 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.976 1.423 . . . . 1.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -66.93 121.41 15.44 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.012 1.445 . . . . 1.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -31.94 39.23 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.973 1.421 . . . . 1.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -41.97 84.11 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.988 1.43 . . . . 1.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -80.77 -44.6 8.28 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 24' ' ' LEU . 1.5 mp -56.25 -49.79 74.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.988 1.052 . . . . 1.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.4 t -59.13 -57.17 14.22 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.002 1.439 . . . . 1.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -62.24 -21.95 65.58 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.981 1.426 . . . . 1.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -73.05 -47.13 47.42 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.432 . . . . 1.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.489 ' CG1' HD13 ' A' ' 11' ' ' LEU . 2.1 mt -66.93 -50.68 62.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.012 1.445 . . . . 1.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.1 p -65.37 -17.56 64.62 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.002 1.439 . . . . 1.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.09 -45.62 69.81 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 20.4 mmm-85 -80.03 -33.81 38.86 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.013 1.446 . . . . 1.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -122.87 83.93 49.96 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 125.001 1.438 . . . . 1.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.46 7.14 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.481 2.787 . . . . 1.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -28.84 63.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.018 1.449 . . . . 1.0 109.284 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -55.23 18.19 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.992 1.432 . . . . 1.0 109.298 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -38.08 47.41 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.972 1.42 . . . . 1.0 109.3 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.23 -37.81 78.19 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.938 1.399 . . . . 1.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -54.52 6.85 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.983 1.427 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.544 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.7 t80 -131.39 92.97 30.54 Favored Pre-proline 0 C--O 1.239 0.533 0 O-C-N 125.013 1.446 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 4.92 4.27 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.533 2.822 . . . . 1.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -84.84 23.1 1.23 Allowed 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.016 1.448 . . . . 1.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.544 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 61.6 m95 -69.06 -41.48 77.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.018 1.449 . . . . 1.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.41 -43.11 88.47 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.014 1.446 . . . . 1.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -67.47 -56.59 8.95 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -58.17 -47.92 81.89 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.553 ' HA ' ' OD1' ' A' ' 54' ' ' ASN . 73.6 mt -61.97 -61.84 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.963 1.414 . . . . 1.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.79 -23.99 0.05 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.566 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 3.2 t60 -80.49 -58.4 3.14 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.984 1.428 . . . . 1.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.553 ' OD1' ' HA ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -71.66 -32.46 67.92 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.053 1.471 . . . . 1.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.615 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -56.61 -57.39 12.6 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.996 1.435 . . . . 1.0 109.316 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.15 -32.71 59.24 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.978 1.423 . . . . 1.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 tp -85.19 23.57 1.25 Allowed 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.448 ' ND2' ' OD2' ' A' ' 59' ' ' ASP . 5.1 t30 -107.54 -85.1 0.52 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.027 1.454 . . . . 1.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.757 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 21.8 m-20 -81.19 -30.0 34.44 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.94 1.4 . . . . 1.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.757 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 9.9 m 86.01 28.74 0.05 OUTLIER 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.045 1.466 . . . . 1.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.708 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -67.33 -178.07 0.79 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.023 1.452 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.605 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 10.5 m -112.35 139.23 38.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.016 1.448 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 1.1 pttp -112.46 172.54 6.86 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.001 1.438 . . . . 1.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.7 mt -109.03 97.16 23.45 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.993 1.433 . . . . 1.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 10.59 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.563 2.842 . . . . 1.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.51 86.15 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.017 1.448 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.58 ' OE1' ' CE2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.58 0 O-C-N 124.953 1.408 . . . . 1.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.42 ' C ' ' OD1' ' A' ' 75' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.614 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.1 m-20 -138.65 92.78 2.65 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.058 . . . . 1.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' OE1' ' A' ' 67' ' ' GLU . 16.9 m-85 -89.12 134.21 34.1 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.016 1.448 . . . . 1.0 109.329 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.605 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.1 m0 -106.64 135.35 48.32 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.952 1.407 . . . . 1.0 109.298 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 15.0 p -121.87 139.02 54.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.035 1.459 . . . . 1.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.708 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -71.62 127.13 31.57 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.011 1.444 . . . . 1.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--O 1.239 0.549 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.586 0 CA-C-O 118.382 -0.818 . . . . 1.0 109.281 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.716 ' CZ ' ' CZ3' ' A' ' 47' ' ' TRP . 0.6 OUTLIER -80.44 -72.64 0.4 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.311 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.486 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 1.2 mp -54.61 -32.04 24.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.987 1.43 . . . . 1.0 109.313 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -57.15 -39.81 75.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.968 1.417 . . . . 1.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.524 HD23 ' CZ ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -81.49 -37.69 27.52 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.004 1.44 . . . . 1.0 109.307 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 9' ' ' ILE . 1.3 mp -46.84 -37.69 3.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.979 1.424 . . . . 1.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 10' ' ' ALA . 39.1 p -43.82 -43.12 6.03 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.025 1.453 . . . . 1.0 109.292 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 mtm -81.54 -39.21 25.0 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.954 1.409 . . . . 1.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -46.81 -32.31 3.61 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.616 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 1.3 tp -77.52 -43.55 30.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 125.023 1.452 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.86 -32.9 15.47 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.991 1.432 . . . . 1.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 1.5 mp0 -51.12 -22.75 2.68 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.994 1.434 . . . . 1.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 21' ' ' GLN . 77.3 p -114.28 85.33 10.42 Favored Pre-proline 0 C--O 1.239 0.552 0 O-C-N 125.017 1.448 . . . . 1.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 12.45 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.485 2.79 . . . . 1.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -132.53 -83.89 0.48 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.043 1.464 . . . . 1.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.48 40.74 0.0 OUTLIER 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.006 1.441 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -139.15 99.69 3.82 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.042 1.464 . . . . 1.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' CD1' HD13 ' A' ' 16' ' ' ILE . 27.0 mt -105.05 103.5 13.06 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.028 1.455 . . . . 1.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 28' ' ' GLY . 15.9 m -89.59 102.96 15.64 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.986 1.428 . . . . 1.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -41.12 -37.85 0.95 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.984 1.427 . . . . 1.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.3 m -56.76 -44.91 82.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.992 1.432 . . . . 1.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.05 -27.65 52.27 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.262 -1.535 . . . . 1.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 25' ' ' THR . 21.7 mm -58.2 -54.68 29.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.957 1.034 . . . . 1.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.96 -40.49 75.39 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.973 1.42 . . . . 1.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -55.72 -38.33 69.6 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.012 1.445 . . . . 1.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.523 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.16 -42.39 62.84 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.023 1.452 . . . . 1.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.555 HG21 ' CD1' ' A' ' 37' ' ' PHE . 86.9 mt -67.53 -53.82 28.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.003 1.44 . . . . 1.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.2 t -46.59 -26.46 0.9 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.057 1.473 . . . . 1.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.61 -46.87 74.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.99 1.431 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -100.22 9.72 42.34 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.985 1.428 . . . . 1.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' CD2' ' A' ' 40' ' ' TYR . 12.0 m-85 -137.31 64.15 45.21 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 125.018 1.449 . . . . 1.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -75.05 -52.34 0.11 Allowed 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.485 2.79 . . . . 1.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 39' ' ' TYR . 18.6 t80 -80.56 -9.02 59.79 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.987 1.43 . . . . 1.0 109.357 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -80.01 -39.03 30.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.052 1.47 . . . . 1.0 109.336 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -72.51 -55.33 7.14 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.004 1.44 . . . . 1.0 109.299 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.27 -33.44 3.72 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.038 1.461 . . . . 1.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -52.37 5.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.999 1.437 . . . . 1.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 7.6 t80 -131.77 87.81 44.2 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 124.944 1.402 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 5.32 4.06 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.489 2.793 . . . . 1.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -84.62 26.35 0.82 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.015 1.447 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.716 ' CZ3' ' CZ ' ' A' ' 8' ' ' TYR . 67.4 m95 -68.94 -42.65 76.43 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.018 1.449 . . . . 1.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 2.5 mt-30 -56.25 -43.79 79.04 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.007 1.442 . . . . 1.0 109.335 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -80.62 -43.44 20.52 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.018 1.449 . . . . 1.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 19.8 m -63.84 -65.43 0.68 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.07 1.481 . . . . 1.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.696 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -52.18 -43.59 38.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.998 1.436 . . . . 1.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -43.94 -38.12 3.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.999 1.437 . . . . 1.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.54 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -81.58 -56.24 4.14 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.956 1.41 . . . . 1.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 4.2 m120 -59.07 -27.6 65.68 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.975 1.422 . . . . 1.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.696 ' N ' ' O ' ' A' ' 51' ' ' ILE . 16.8 tp -64.72 -53.46 46.97 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.018 1.449 . . . . 1.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -80.68 -5.6 57.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.022 1.451 . . . . 1.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -83.07 -2.96 56.71 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 1.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -97.48 -82.27 0.42 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.977 1.423 . . . . 1.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 21.6 m-20 -87.13 -34.64 19.01 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.995 1.434 . . . . 1.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 78.79 73.52 0.05 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.032 1.458 . . . . 1.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.665 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -86.58 -168.95 2.42 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.983 1.427 . . . . 1.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.436 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 6.4 m -114.53 103.62 15.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 124.986 1.429 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' C ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -79.99 143.84 33.78 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.992 1.433 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.68 ' O ' HG12 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -129.65 60.81 54.01 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.008 1.443 . . . . 1.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 40.1 0.64 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.496 2.798 . . . . 1.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 1.9 tpm_? 173.36 90.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.041 1.463 . . . . 1.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.498 ' CB ' HD12 ' A' ' 64' ' ' ILE . 19.9 tp10 . . . . . 0 C--O 1.239 0.534 0 O-C-N 124.979 1.425 . . . . 1.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.448 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.5 OUTLIER -137.17 -157.83 0.81 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.997 1.057 . . . . 1.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.459 ' HB2' ' CG ' ' A' ' 23' ' ' LYS . 1.9 p90 -172.25 125.55 0.53 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.95 1.406 . . . . 1.0 109.272 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.563 ' N ' ' CD1' ' A' ' 77' ' ' TRP . 1.9 m0 -94.52 151.6 19.22 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.448 . . . . 1.0 109.331 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.494 ' C ' ' HB3' ' A' ' 61' ' ' PHE . 91.3 m -122.3 133.79 54.67 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.967 1.417 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -66.13 128.25 35.34 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.005 1.441 . . . . 1.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.586 0 O-C-N 124.982 1.426 . . . . 1.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.535 ' O ' ' HB ' ' A' ' 2' ' ' VAL . 8.6 mtt . . . . . 0 C--O 1.24 0.581 0 CA-C-O 118.385 -0.817 . . . . 1.0 109.318 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 1' ' ' MET . 19.0 t 85.98 -27.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.424 . . . . 1.0 109.267 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 26.16 60.59 0.5 Allowed Pre-proline 0 C--O 1.239 0.532 0 O-C-N 125.01 1.444 . . . . 1.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.03 153.43 41.63 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.507 2.805 . . . . 1.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 142.89 28.63 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.541 2.827 . . . . 1.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CZ ' ' OH ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -95.25 92.2 6.65 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.988 1.43 . . . . 1.0 109.327 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.491 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 2.6 p -142.37 117.22 9.89 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.046 1.466 . . . . 1.0 109.278 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.3 m-85 -81.53 -69.11 0.64 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.98 1.425 . . . . 1.0 109.324 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.515 HD11 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -38.62 -43.15 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.999 1.437 . . . . 1.0 109.317 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 7' ' ' SER . . . -68.44 -40.44 81.13 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.03 1.456 . . . . 1.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -55.17 -31.15 61.14 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.996 1.435 . . . . 1.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' ALA . 13.9 mm -82.14 -47.57 19.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.961 1.413 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.435 ' C ' HG23 ' A' ' 16' ' ' ILE . 1.6 m -44.98 -38.02 4.43 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.942 1.401 . . . . 1.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.531 ' HE1' ' CZ ' ' A' ' 32' ' ' PHE . 4.1 ptt? -83.24 -26.87 30.35 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.962 1.414 . . . . 1.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -77.02 -23.64 52.17 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.985 1.428 . . . . 1.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.623 HD12 ' CD1' ' A' ' 79' ' ' LEU . 4.8 tp -82.22 -49.8 16.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.984 1.428 . . . . 1.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -52.72 -27.27 16.88 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.968 1.417 . . . . 1.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -41.5 -33.74 0.47 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.06 1.475 . . . . 1.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 8.6 p -102.15 111.99 64.93 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 124.985 1.428 . . . . 1.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.86 8.41 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.548 2.832 . . . . 1.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.41 -84.77 0.66 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.997 1.436 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 42.68 0.0 OUTLIER 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.961 1.413 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' C ' HD23 ' A' ' 24' ' ' LEU . 6.9 mtmm -140.71 114.45 8.9 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.01 1.443 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 4.2 mm? -116.02 130.63 56.9 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 28' ' ' GLY . 69.3 p -106.84 104.51 14.21 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.04 1.463 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.32 -34.22 1.17 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.013 1.446 . . . . 1.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 t -66.61 -41.67 88.03 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.031 1.457 . . . . 1.0 109.264 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.15 -16.97 80.15 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.333 -1.507 . . . . 1.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -79.32 -52.79 14.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.993 1.055 . . . . 1.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.2 p -51.78 -45.19 63.72 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.966 1.416 . . . . 1.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -70.75 -29.09 65.23 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.049 1.468 . . . . 1.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.531 ' CZ ' ' HE1' ' A' ' 14' ' ' MET . 0.0 OUTLIER -70.8 -34.62 71.93 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.985 1.428 . . . . 1.0 109.3 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 46.8 mm -64.56 -61.21 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.976 1.422 . . . . 1.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -50.67 -22.48 2.08 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.452 . . . . 1.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.29 -32.8 70.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.053 1.471 . . . . 1.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.86 14.5 3.62 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.986 1.429 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.534 ' CE2' HD12 ' A' ' 11' ' ' LEU . 5.0 m-85 -140.49 61.09 15.32 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 124.98 1.425 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 18.4 Cg_endo -74.95 -53.57 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.522 2.814 . . . . 1.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -71.43 -19.38 62.25 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.017 1.448 . . . . 1.0 109.306 -179.765 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.72 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 0.5 OUTLIER -80.85 -53.15 6.72 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.984 1.428 . . . . 1.0 109.277 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -41.21 67.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 17.4 tp10 -66.59 -11.64 54.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.443 . . . . 1.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -111.15 -36.73 5.53 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.021 1.451 . . . . 1.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.813 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -132.84 64.9 72.87 Favored Pre-proline 0 C--O 1.24 0.584 0 O-C-N 125.022 1.452 . . . . 1.0 109.242 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.99 -10.62 21.31 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.566 2.844 . . . . 1.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.1 -18.76 45.39 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.971 1.42 . . . . 1.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.813 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -77.15 -2.99 37.19 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.989 1.43 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -48.56 -40.57 27.63 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.425 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -81.71 -38.09 26.32 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.001 1.438 . . . . 1.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.448 ' OG ' ' OH ' ' A' ' 8' ' ' TYR . 53.5 p -48.02 -44.81 31.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.952 1.408 . . . . 1.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.536 HD12 ' CE2' ' A' ' 47' ' ' TRP . 90.8 mt -64.89 -41.87 93.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.03 1.456 . . . . 1.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -56.8 -40.33 75.77 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.044 1.465 . . . . 1.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -56.06 -49.71 73.01 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.496 ' HA ' ' HB3' ' A' ' 57' ' ' LEU . 7.1 m120 -78.84 -21.72 47.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.045 1.466 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.6 ' CD2' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -59.01 -52.99 63.38 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.438 . . . . 1.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 11.5 t -82.75 -22.24 34.42 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.973 1.421 . . . . 1.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.496 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -82.56 -9.35 59.44 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.057 1.473 . . . . 1.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.443 ' ND2' HG13 ' A' ' 12' ' ' ILE . 2.3 m-80 -88.6 -82.09 0.25 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.97 1.419 . . . . 1.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 91.1 m-20 -71.2 -53.3 14.91 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.006 1.441 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 9.9 m 95.85 49.61 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.02 1.45 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.528 ' CE1' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -82.86 -173.5 4.72 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.993 1.433 . . . . 1.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.2 m -118.28 124.71 73.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.994 1.434 . . . . 1.0 109.364 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -99.16 147.19 25.36 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.024 1.452 . . . . 1.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.452 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 1.1 pt -106.77 99.76 27.38 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 124.939 1.4 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.0 91.54 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.489 2.793 . . . . 1.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 63.43 71.68 0.5 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.07 1.481 . . . . 1.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' CB ' HD11 ' A' ' 64' ' ' ILE . 3.3 tp10 -73.28 137.64 78.45 Favored Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.976 1.423 . . . . 1.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 71.88 4.87 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.483 2.789 . . . . 1.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.62 -41.71 0.05 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 109.298 -1.521 . . . . 1.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' ND2' ' CE1' ' A' ' 76' ' ' TYR . 35.7 m-80 -78.78 160.71 71.29 Favored Pre-proline 0 C--O 1.24 0.591 0 O-C-N 125.023 1.072 . . . . 1.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.3 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.539 2.826 . . . . 1.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 132.41 71.22 0.09 OUTLIER Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -121.58 -60.62 1.59 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.054 1.09 . . . . 1.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -139.87 -148.88 5.27 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.408 ' O ' HG23 ' A' ' 25' ' ' THR . 5.3 m120 -130.5 175.65 8.8 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.97 1.041 . . . . 1.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.414 ' CE1' ' ND2' ' A' ' 70' ' ' ASN . 3.0 m-85 -126.65 78.87 1.82 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.049 1.468 . . . . 1.0 109.301 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.6 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 9.2 m0 -72.21 128.28 35.17 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.037 1.46 . . . . 1.0 109.272 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 28.1 m -124.15 135.32 53.41 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.952 1.408 . . . . 1.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.623 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -71.63 131.41 43.15 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.015 1.447 . . . . 1.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -78.01 143.26 65.69 Favored Pre-proline 0 C--O 1.241 0.619 0 O-C-N 124.988 1.43 . . . . 1.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 56.19 4.19 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.475 2.784 . . . . 1.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.76 -54.82 1.83 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.035 1.459 . . . . 1.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.526 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 10.0 t -79.47 -71.03 0.47 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 83' ' ' SER . 5.3 pt-20 51.3 18.01 0.57 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.011 1.444 . . . . 1.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -83.36 -42.04 17.51 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.994 1.434 . . . . 1.0 109.242 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.7 mmt -73.39 -27.99 61.77 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -52.63 -41.57 63.86 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.969 1.418 . . . . 1.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -173.47 68.3 0.03 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.005 1.441 . . . . 1.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -60.4 -48.63 80.91 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.001 1.438 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.0 -64.7 1.83 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p 175.97 -57.01 0.01 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.006 1.063 . . . . 1.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.99 53.54 0.0 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.034 1.459 . . . . 1.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.345 0.395 0 O-C-N 124.997 1.436 . . . . 1.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mtm . . . . . 0 C--O 1.24 0.564 0 CA-C-O 118.416 -0.802 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.499 ' HB ' ' CE1' ' A' ' 39' ' ' TYR . 2.0 p -113.65 -37.95 2.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.977 1.423 . . . . 1.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -126.23 67.7 64.12 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 125.062 1.476 . . . . 1.0 109.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.97 175.66 10.93 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.483 2.788 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 110.92 3.21 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.44 2.76 . . . . 1.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.635 ' CE1' ' CE2' ' A' ' 40' ' ' TYR . 2.3 p90 -140.76 -162.38 1.35 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.96 1.413 . . . . 1.0 109.264 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.558 ' OG ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -138.41 150.13 46.2 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.983 1.427 . . . . 1.0 109.324 -179.546 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.496 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -85.45 -69.61 0.65 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.959 1.412 . . . . 1.0 109.327 -179.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.438 HD13 ' N ' ' A' ' 10' ' ' ALA . 1.6 pp -53.52 -57.75 4.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.018 1.449 . . . . 1.0 109.36 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HB2' ' OG ' ' A' ' 7' ' ' SER . . . -50.29 -30.74 12.58 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.949 1.406 . . . . 1.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 1.2 tt -73.12 -34.76 66.32 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.994 1.434 . . . . 1.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.1 mp -81.42 -51.59 15.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.018 1.449 . . . . 1.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -48.69 -36.28 15.8 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.98 1.425 . . . . 1.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.534 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 6.6 ptt? -76.99 -22.88 52.48 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.951 1.407 . . . . 1.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -79.59 -26.83 41.19 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.915 1.384 . . . . 1.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.479 HD11 ' O ' ' A' ' 12' ' ' ILE . 1.4 mp -79.56 -56.63 6.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.978 1.424 . . . . 1.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.534 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 3.6 pp -49.86 -28.77 6.96 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.943 1.402 . . . . 1.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -63.32 -13.42 38.64 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.08 1.487 . . . . 1.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 21' ' ' GLN . 17.8 m -115.59 81.79 9.39 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 25.38 0.38 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.518 2.812 . . . . 1.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 20.6 tt0 -116.56 -29.49 6.12 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 25.2 mtpt 95.06 30.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.978 1.424 . . . . 1.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -140.36 99.46 3.66 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.02 1.45 . . . . 1.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.423 HD11 ' OG ' ' A' ' 19' ' ' SER . 4.6 mm? -96.58 122.81 39.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.011 1.444 . . . . 1.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' GLY . 33.8 p -98.89 110.98 23.5 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -44.34 -40.67 5.49 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.031 1.457 . . . . 1.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.0 p -58.78 -39.31 80.67 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.97 1.418 . . . . 1.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -80.52 -31.51 36.89 Favored Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.328 -1.509 . . . . 1.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.444 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 3.5 mm -59.98 -58.05 8.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.986 1.051 . . . . 1.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.2 t -57.12 -42.94 81.81 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.022 1.451 . . . . 1.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -67.79 -33.87 75.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.977 1.423 . . . . 1.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.568 ' CD2' HD11 ' A' ' 33' ' ' ILE . 7.2 t80 -65.06 -46.38 81.46 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.007 1.442 . . . . 1.0 109.358 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 32' ' ' PHE . 41.4 mm -63.33 -48.56 86.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.979 1.425 . . . . 1.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -24.31 67.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.961 1.413 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -67.52 -39.97 85.08 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.025 1.453 . . . . 1.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -91.52 -46.26 8.07 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.985 1.428 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' A' ' 11' ' ' LEU . 3.2 m-85 -122.71 79.0 48.42 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 125.0 1.437 . . . . 1.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -34.28 4.0 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.533 2.822 . . . . 1.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CE1' ' HB ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -68.66 -30.37 69.05 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.981 1.426 . . . . 1.0 109.277 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.635 ' CE2' ' CE1' ' A' ' 6' ' ' TYR . 1.1 t80 -64.63 -47.57 78.05 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.963 1.414 . . . . 1.0 109.277 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -78.17 -41.82 33.55 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 1.0 109.285 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.03 -21.94 47.6 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.006 1.442 . . . . 1.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 0.8 OUTLIER -113.99 -19.96 11.21 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.015 1.447 . . . . 1.0 109.344 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.743 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -130.3 66.69 78.72 Favored Pre-proline 0 C--O 1.239 0.524 0 O-C-N 124.997 1.436 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -9.21 20.7 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.473 2.782 . . . . 1.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.23 -17.28 46.63 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.034 1.459 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -81.16 9.74 6.4 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.026 1.453 . . . . 1.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -47.81 84.56 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.007 1.442 . . . . 1.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -81.2 -27.95 35.12 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.039 1.462 . . . . 1.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 t -53.61 -44.32 69.37 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.014 1.446 . . . . 1.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.1 pt -72.94 -34.34 45.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.009 1.443 . . . . 1.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' NE ' HD12 ' A' ' 26' ' ' LEU . 45.0 mtt180 -58.25 -49.6 76.52 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.988 1.43 . . . . 1.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.467 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 22.5 t60 -61.69 -60.32 3.84 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.458 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 12.8 t-20 -56.1 -29.58 60.8 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.016 1.448 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.515 HD21 ' CZ3' ' A' ' 77' ' ' TRP . 11.4 tp -67.57 -44.07 79.07 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.955 1.409 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 24.6 p -83.53 -27.82 29.08 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.016 1.447 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -81.97 -16.37 50.61 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.949 1.406 . . . . 1.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 45.9 m-20 -86.11 -76.42 0.34 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.02 1.45 . . . . 1.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 6.2 m-20 -66.77 -60.14 2.94 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.002 1.439 . . . . 1.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 25.9 m 97.69 31.06 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -76.77 -177.21 4.2 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.994 1.434 . . . . 1.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 14.8 m -110.81 123.74 66.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.015 1.447 . . . . 1.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.521 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 2.1 ptpt -97.46 165.41 12.02 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.015 1.447 . . . . 1.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 66' ' ' ARG . 54.4 mt -110.27 93.09 14.8 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 125.023 1.452 . . . . 1.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.04 17.62 0.59 Allowed 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.495 2.797 . . . . 1.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' H ' ' C ' ' A' ' 64' ' ' ILE . 43.3 ttt-85 176.56 85.86 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -75.2 123.99 89.06 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 124.992 1.432 . . . . 1.0 109.255 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.19 1.68 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.521 2.814 . . . . 1.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.82 -42.77 24.75 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB2' ' CG ' ' A' ' 73' ' ' LYS . 2.8 p30 -119.56 78.2 20.74 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.978 1.046 . . . . 1.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 69.12 5.62 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.504 2.803 . . . . 1.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.43 63.17 0.15 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.313 -1.515 . . . . 1.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 70' ' ' ASN . 41.9 mmtm -143.81 -86.42 0.13 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.005 1.062 . . . . 1.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . -142.22 -126.45 2.12 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.472 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 84.5 m-20 -165.86 170.01 14.28 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.048 . . . . 1.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 8.2 m-85 -136.6 90.79 2.59 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.001 1.438 . . . . 1.0 109.292 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.598 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 4.4 m0 -82.64 131.87 35.2 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.0 1.438 . . . . 1.0 109.309 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.563 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 4.5 m -119.27 138.3 53.1 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.509 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 1.8 tp -70.36 119.84 15.14 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.029 1.456 . . . . 1.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -71.03 -52.11 9.9 Favored Pre-proline 0 C--O 1.241 0.609 0 O-C-N 124.96 1.413 . . . . 1.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.4 Cg_endo -74.99 64.25 6.03 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.543 2.829 . . . . 1.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 174.73 -56.62 0.01 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.009 1.443 . . . . 1.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.73 -68.79 0.56 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 1.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 2.8 tm-20 -52.55 -41.18 63.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.045 1.466 . . . . 1.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -58.65 -50.75 72.69 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.004 1.44 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 mtt -58.07 -23.6 55.23 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.011 1.444 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 84' ' ' GLU . 5.3 t80 -58.36 -52.38 65.85 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.993 1.433 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 175.49 66.55 0.0 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.973 1.421 . . . . 1.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -80.23 -55.67 4.75 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.944 1.402 . . . . 1.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.06 -57.31 3.04 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 40.0 p 57.21 48.74 14.63 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.956 1.033 . . . . 1.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' A' ' 91' ' ' SER . 47.8 p90 47.22 34.18 2.92 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.998 1.436 . . . . 1.0 109.372 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 42.3 tp . . . . . 0 C--N 1.346 0.43 0 O-C-N 124.96 1.413 . . . . 1.0 109.261 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.445 -0.788 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.429 HG12 ' CD2' ' A' ' 40' ' ' TYR . 22.8 m 42.51 29.48 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.951 1.407 . . . . 1.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.507 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 9.9 mttm -61.38 -53.57 61.07 Favored Pre-proline 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -74.99 153.21 41.65 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.552 2.835 . . . . 1.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.0 36.21 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.509 2.806 . . . . 1.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -138.44 -170.68 2.88 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.019 1.449 . . . . 1.0 109.303 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.75 135.78 49.41 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.049 1.468 . . . . 1.0 109.294 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 50' ' ' SER . 0.7 OUTLIER -80.09 -51.96 8.37 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.965 1.416 . . . . 1.0 109.317 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.486 HG12 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -53.36 -41.73 45.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 124.957 1.411 . . . . 1.0 109.308 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -70.1 -21.22 63.14 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.974 1.421 . . . . 1.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.491 HD21 ' CD1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -80.84 -36.48 31.46 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.003 1.439 . . . . 1.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.491 ' CD1' HD21 ' A' ' 11' ' ' LEU . 1.4 mp -80.82 -36.8 15.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.029 1.456 . . . . 1.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.439 ' OG1' ' HA ' ' A' ' 10' ' ' ALA . 2.9 p -46.99 -42.33 17.8 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.015 1.447 . . . . 1.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.491 ' HE1' ' CZ ' ' A' ' 32' ' ' PHE . 6.8 ptt? -82.8 -24.1 33.55 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.962 1.414 . . . . 1.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -68.43 -56.15 9.43 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.498 HD12 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -44.0 -48.55 2.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 124.977 1.423 . . . . 1.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.406 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 3.3 mp -50.08 -25.96 3.96 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.966 1.416 . . . . 1.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.587 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 13.9 mm100 -45.79 -27.8 0.92 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.991 1.432 . . . . 1.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.5 m -102.87 104.16 37.76 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 125.023 1.452 . . . . 1.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.05 0.74 8.57 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.478 2.785 . . . . 1.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 22' ' ' LYS . 1.6 tp60 -124.75 -82.24 0.64 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.977 1.423 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 21' ' ' GLN . 1.6 ptmt 178.29 39.06 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.014 1.446 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' CG ' ' HB2' ' A' ' 76' ' ' TYR . 5.0 mptt -132.7 90.62 2.79 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.0 1.437 . . . . 1.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -77.48 114.86 16.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.989 1.43 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' GLY . 43.2 p -101.81 98.4 8.65 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.943 1.402 . . . . 1.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.55 ' CD1' ' CD ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -51.91 -21.62 3.15 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.983 1.427 . . . . 1.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 p -75.4 -24.47 57.17 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.026 1.454 . . . . 1.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' GLU . . . -81.17 -57.75 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -43.53 -45.53 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.989 1.052 . . . . 1.0 109.328 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.9 t -50.47 -37.2 37.17 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLY . 8.1 tp10 -82.07 -31.55 30.78 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.974 1.421 . . . . 1.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.662 ' CE2' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -79.92 -55.6 4.85 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.027 1.454 . . . . 1.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.662 ' CD1' ' CE2' ' A' ' 32' ' ' PHE . 4.8 mm -56.47 -38.69 57.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.973 1.421 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -79.89 -24.4 41.18 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.991 1.432 . . . . 1.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.12 -49.0 79.04 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.002 1.439 . . . . 1.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -89.6 -25.78 21.13 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.014 1.446 . . . . 1.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.409 ' CZ ' ' HD3' ' A' ' 36' ' ' ARG . 9.8 m-85 -128.99 69.23 80.76 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 124.974 1.421 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -56.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.482 2.788 . . . . 1.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -53.59 -23.84 12.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.972 1.42 . . . . 1.0 109.264 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CD2' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -65.28 -38.06 89.1 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.965 1.415 . . . . 1.0 109.298 -179.334 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -61.95 -53.6 53.34 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.942 1.401 . . . . 1.0 109.324 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -38.67 75.17 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.978 1.423 . . . . 1.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -53.21 18.09 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.959 1.412 . . . . 1.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.4 t80 -133.38 96.18 17.39 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.992 1.432 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.81 10.4 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.479 2.786 . . . . 1.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -84.92 23.84 1.15 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.949 1.405 . . . . 1.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 32.2 m95 -68.16 -58.4 4.51 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.998 1.436 . . . . 1.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.55 ' CD ' ' CD1' ' A' ' 26' ' ' LEU . 24.6 tt0 -50.15 -36.37 29.82 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.046 1.466 . . . . 1.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -72.56 -48.09 42.82 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.473 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 3.0 p -65.6 -60.88 2.46 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.979 1.424 . . . . 1.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.732 ' O ' ' N ' ' A' ' 55' ' ' LEU . 7.5 pt -48.28 -54.43 4.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.007 1.442 . . . . 1.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' N ' ' CG1' ' A' ' 51' ' ' ILE . 0.3 OUTLIER -44.73 -39.42 5.16 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.015 1.447 . . . . 1.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 50' ' ' SER . 4.5 t60 -71.97 -54.98 8.29 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.952 1.408 . . . . 1.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' ND2' ' OD1' ' A' ' 58' ' ' ASN . 14.3 t30 -66.47 -29.0 69.03 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.016 1.447 . . . . 1.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 51' ' ' ILE . 2.9 mt -54.73 -54.28 44.03 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.986 1.429 . . . . 1.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -74.96 -26.47 59.61 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.07 16.7 2.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.007 1.442 . . . . 1.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' OD1' ' ND2' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -113.55 -83.27 0.6 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.003 1.439 . . . . 1.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.6 m-20 -81.97 -39.23 23.95 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.997 1.436 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 6.1 m 92.24 52.32 0.0 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.036 1.46 . . . . 1.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -92.06 -170.57 2.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.051 1.469 . . . . 1.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 3.3 t -118.04 135.66 57.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.025 1.453 . . . . 1.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.63 ' HB3' ' CE2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -103.36 142.75 33.68 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.289 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.545 HD12 ' CD1' ' A' ' 76' ' ' TYR . 1.1 pp -130.72 58.46 38.94 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 125.016 1.448 . . . . 1.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 33.61 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.52 2.813 . . . . 1.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 64' ' ' ILE . 5.4 ttm180 -173.96 63.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.988 1.43 . . . . 1.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 69' ' ' GLY . 2.9 tp10 -89.27 134.06 33.72 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 125.039 1.462 . . . . 1.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 36.33 0.44 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.5 2.8 . . . . 1.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.539 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 157.42 74.71 0.02 OUTLIER Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.288 -1.525 . . . . 1.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.44 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 1.4 m-20 -125.15 63.49 41.93 Favored Pre-proline 0 C--O 1.24 0.583 0 O-C-N 124.93 1.017 . . . . 1.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.539 ' HD3' ' C ' ' A' ' 69' ' ' GLY . 18.4 Cg_endo -74.9 53.98 3.46 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.544 2.83 . . . . 1.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.17 -87.96 1.13 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.31 -55.0 0.44 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.005 1.062 . . . . 1.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -145.32 -109.23 0.61 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.32 -172.39 2.61 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.021 1.071 . . . . 1.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.7 p90 -158.65 118.84 3.22 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.961 1.413 . . . . 1.0 109.316 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.63 ' CE2' ' HB3' ' A' ' 63' ' ' LYS . 3.3 m0 -94.23 153.36 18.1 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.058 1.474 . . . . 1.0 109.275 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 65.3 p -131.43 144.97 51.57 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.983 1.427 . . . . 1.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.558 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -71.35 152.47 43.16 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.002 1.439 . . . . 1.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.526 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -79.38 -52.19 1.17 Allowed Pre-proline 0 C--O 1.239 0.524 0 O-C-N 125.052 1.47 . . . . 1.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.6 Cg_endo -74.91 -16.43 20.46 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.51 2.807 . . . . 1.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 74.44 49.96 0.1 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.976 1.422 . . . . 1.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' HD23 ' A' ' 79' ' ' LEU . 2.9 t -73.69 -35.6 65.18 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.97 1.419 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.9 -35.15 79.1 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.984 1.428 . . . . 1.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -55.76 14.67 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.06 1.475 . . . . 1.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.486 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -79.9 -73.46 0.35 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.965 1.415 . . . . 1.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 86' ' ' MET . 0.1 OUTLIER 158.39 -61.78 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.991 1.432 . . . . 1.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -137.99 29.12 2.56 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.987 1.43 . . . . 1.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -78.36 -32.86 49.22 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.984 1.428 . . . . 1.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 91' ' ' SER . . . -70.92 -64.32 2.85 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 90' ' ' GLY . 6.3 p 159.72 79.44 0.0 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.002 1.06 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.55 -62.98 1.45 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.958 1.411 . . . . 1.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.345 0.386 0 O-C-N 124.952 1.407 . . . . 1.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.413 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.555 0 CA-C-O 118.386 -0.816 . . . . 1.0 109.291 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.533 HG13 ' CZ ' ' A' ' 39' ' ' TYR . 3.6 m 41.99 27.62 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.02 1.45 . . . . 1.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -73.91 -60.38 1.56 Allowed Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.996 1.435 . . . . 1.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -74.99 110.72 3.17 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.521 2.814 . . . . 1.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.04 166.25 29.55 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.52 2.813 . . . . 1.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.548 ' CE2' ' OH ' ' A' ' 40' ' ' TYR . 2.0 m-85 -119.92 -78.8 0.59 Allowed 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.994 1.434 . . . . 1.0 109.31 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.429 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 36.5 t -143.48 120.38 11.3 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.008 1.443 . . . . 1.0 109.276 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.427 ' HB3' ' ND2' ' A' ' 54' ' ' ASN . 9.5 m-85 -75.54 -50.06 16.79 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.964 1.415 . . . . 1.0 109.305 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 10' ' ' ALA . 28.9 pt -57.12 -39.91 69.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.32 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' CB ' ' HB3' ' A' ' 7' ' ' SER . . . -54.2 -40.29 67.46 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.029 1.456 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 mt -71.56 -47.18 56.65 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.986 1.429 . . . . 1.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.497 ' CG2' HD21 ' A' ' 55' ' ' LEU . 5.7 mm -60.99 -40.55 85.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.037 1.46 . . . . 1.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -45.04 -42.04 8.12 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 1.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.51 ' HE3' ' CZ ' ' A' ' 36' ' ' ARG . 23.4 ttp -79.67 -31.26 41.4 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.656 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -64.15 -44.99 90.43 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.511 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -75.15 -34.66 32.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.017 1.448 . . . . 1.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.69 -44.6 96.34 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.94 1.4 . . . . 1.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -47.44 -24.61 0.85 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.034 1.459 . . . . 1.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.43 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.5 p -71.78 114.47 28.9 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.019 1.449 . . . . 1.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.18 10.88 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.523 2.816 . . . . 1.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.76 -82.87 0.23 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.004 1.44 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.83 38.71 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 1.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' CG ' ' HB3' ' A' ' 76' ' ' TYR . 11.9 mttm -131.27 105.73 7.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.031 1.457 . . . . 1.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 3.5 mm? -104.62 111.07 23.62 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.98 1.425 . . . . 1.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' GLY . 53.0 p -85.67 104.47 15.42 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.99 1.431 . . . . 1.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' HG ' ' CD ' ' A' ' 52' ' ' ARG . 2.5 tm? -43.09 -29.34 0.35 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.945 1.403 . . . . 1.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.0 m -76.29 -42.49 45.23 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.84 -21.68 65.47 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 mp -74.41 -46.74 42.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 125.014 1.067 . . . . 1.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 p -56.89 -35.76 69.34 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.967 1.417 . . . . 1.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 4.7 tt0 -73.92 -44.99 53.31 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.032 1.458 . . . . 1.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.656 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -51.41 -45.08 62.41 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.036 1.46 . . . . 1.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.829 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 4.5 mt -79.51 -27.1 12.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 124.995 1.434 . . . . 1.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -65.47 -28.96 69.58 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.617 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 1.6 p-10 -85.45 -2.03 57.68 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.04 1.463 . . . . 1.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.538 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 2.4 ptt180 -135.56 6.14 3.22 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.977 1.423 . . . . 1.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.829 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 2.2 m-85 -131.16 72.9 81.16 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.036 1.46 . . . . 1.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' O ' ' HB2' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.03 -66.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.498 2.799 . . . . 1.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CZ ' HG13 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -80.99 1.02 33.03 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.969 1.418 . . . . 1.0 109.313 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.611 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -86.34 -50.42 6.94 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.937 1.398 . . . . 1.0 109.274 -179.32 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -84.35 -41.91 16.28 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -66.06 -7.03 15.0 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.018 1.449 . . . . 1.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -107.81 -49.29 3.25 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.44 . . . . 1.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.745 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.1 t80 -131.11 71.27 82.28 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.03 1.456 . . . . 1.0 109.225 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -4.85 16.01 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.537 2.825 . . . . 1.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . . . -80.93 -20.09 42.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.997 1.436 . . . . 1.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.745 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.69 12.07 5.14 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.982 1.426 . . . . 1.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.8 -44.59 90.82 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.974 1.421 . . . . 1.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -81.37 -38.54 26.45 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.024 1.452 . . . . 1.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -40.69 25.61 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.045 1.466 . . . . 1.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.52 HD12 ' CE2' ' A' ' 47' ' ' TRP . 88.2 mt -66.71 -41.29 87.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 1.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.484 ' CD ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.1 -42.53 76.92 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.988 1.43 . . . . 1.0 109.358 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -57.35 -57.93 10.5 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.019 1.449 . . . . 1.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 8' ' ' TYR . 2.3 t30 -65.68 -24.17 66.94 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.982 1.426 . . . . 1.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.509 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -59.01 -51.97 67.77 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.0 1.438 . . . . 1.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.51 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 3.9 t -84.88 -17.89 36.51 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 1.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.3 mm? -83.23 -15.3 50.92 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.021 1.451 . . . . 1.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -88.12 -84.81 0.19 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.021 1.45 . . . . 1.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.4 m-20 -61.36 -54.37 44.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.001 1.438 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 94.62 44.14 0.0 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.001 1.438 . . . . 1.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -85.67 -176.23 5.96 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.03 1.456 . . . . 1.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 84.0 t -112.6 127.04 70.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.965 1.415 . . . . 1.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HB3' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -105.71 137.6 43.3 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.949 1.406 . . . . 1.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.554 HG22 ' CG ' ' A' ' 67' ' ' GLU . 3.0 mp -88.77 111.37 43.91 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.007 1.442 . . . . 1.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 -9.05 20.6 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.477 2.785 . . . . 1.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.57 84.78 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.554 ' CG ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -68.42 148.21 98.17 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 124.995 1.435 . . . . 1.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.01 -1.63 11.49 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.499 2.799 . . . . 1.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.44 41.67 1.43 Allowed Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -137.55 130.78 17.03 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 125.033 1.078 . . . . 1.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.46 2.51 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.543 2.829 . . . . 1.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.16 67.03 0.07 OUTLIER Glycine 0 C--N 1.345 1.031 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.45 -66.36 1.07 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.966 1.039 . . . . 1.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.87 -127.59 2.34 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.404 ' O ' HG23 ' A' ' 25' ' ' THR . 0.2 OUTLIER -168.32 177.15 5.53 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.988 1.052 . . . . 1.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.503 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -127.6 97.34 4.82 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.996 1.435 . . . . 1.0 109.316 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.494 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 14.1 m0 -80.71 133.42 35.68 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.976 1.423 . . . . 1.0 109.279 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 30.8 p -120.59 133.62 55.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.993 1.433 . . . . 1.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.68 133.55 46.74 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.983 1.427 . . . . 1.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 1.4 p-10 -70.16 118.05 60.11 Favored Pre-proline 0 C--O 1.239 0.51 0 O-C-N 125.037 1.461 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 57.25 4.52 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.49 2.794 . . . . 1.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 176.57 45.7 0.0 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.005 1.441 . . . . 1.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' GLY . 63.7 p -80.0 -47.52 14.8 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.97 1.419 . . . . 1.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.88 34.1 3.75 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.964 1.415 . . . . 1.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -77.0 -41.55 42.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.021 1.451 . . . . 1.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.432 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -73.41 -66.82 0.64 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.987 1.429 . . . . 1.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 86' ' ' MET . 34.4 p90 174.84 -53.92 0.01 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.003 1.439 . . . . 1.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.401 ' N ' ' CD2' ' A' ' 87' ' ' PHE . 72.3 m-20 -141.7 31.5 1.65 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.022 1.451 . . . . 1.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -79.22 -51.74 9.08 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.039 1.462 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' SER . . . -63.63 -54.67 29.9 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.27 -1.532 . . . . 1.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.5 t -63.23 -56.26 18.12 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.005 1.062 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.1 t80 64.93 57.89 0.97 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.963 1.415 . . . . 1.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.398 0 O-C-N 125.021 1.451 . . . . 1.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttt . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.313 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.515 HG12 ' CG ' ' A' ' 39' ' ' TYR . 32.3 m -107.44 -46.32 7.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.978 1.424 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.75 143.14 7.38 Favored Pre-proline 0 C--O 1.24 0.557 0 O-C-N 125.005 1.441 . . . . 1.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.34 22.85 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.479 2.786 . . . . 1.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 156.7 43.32 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.512 2.808 . . . . 1.0 110.998 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -119.22 -83.03 0.65 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.425 . . . . 1.0 109.3 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 m -141.03 142.58 34.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.048 1.467 . . . . 1.0 109.274 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.414 ' OH ' ' OG ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -81.28 -47.26 13.57 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.985 1.428 . . . . 1.0 109.273 -179.773 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 10' ' ' ALA . 22.6 pt -61.29 -48.0 90.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 125.027 1.454 . . . . 1.0 109.337 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -55.03 -24.84 26.69 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.954 1.409 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.552 HD12 ' CE2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -80.92 -45.27 17.0 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.019 1.449 . . . . 1.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.578 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.8 mp -74.14 -45.72 47.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.988 1.43 . . . . 1.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 16' ' ' ILE . 17.6 p -41.22 -34.51 0.49 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.993 1.433 . . . . 1.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.415 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -83.87 -33.03 24.9 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.944 1.402 . . . . 1.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.803 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -63.18 -47.38 82.88 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.993 1.433 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' A' ' 79' ' ' LEU . 2.2 tp -49.28 -42.71 15.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.034 1.459 . . . . 1.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 17' ' ' LEU . 3.0 mm? -51.68 -31.64 26.63 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.95 1.406 . . . . 1.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.803 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -42.49 -31.65 0.46 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 1.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 23' ' ' LYS . 5.4 m -127.11 99.2 28.75 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.79 10.39 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.487 2.791 . . . . 1.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -106.61 -76.76 0.6 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 1.0 109.312 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 167.37 42.5 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.029 1.456 . . . . 1.0 109.334 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' ' OG ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -141.31 93.9 2.63 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.003 1.439 . . . . 1.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD12 ' CD1' ' A' ' 16' ' ' ILE . 1.1 mp -106.6 119.93 40.6 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.015 1.447 . . . . 1.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.7 p -95.42 102.68 14.51 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.952 1.408 . . . . 1.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 2.8 tm? -45.24 -30.26 1.18 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t -60.29 -45.86 91.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 1.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.15 -24.33 61.67 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.416 ' HA ' HD11 ' A' ' 29' ' ' ILE . 34.7 mm -60.39 -54.16 38.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 125.067 1.098 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 t -54.57 -44.99 73.45 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.99 1.431 . . . . 1.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -66.51 -31.96 73.01 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.04 1.463 . . . . 1.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.654 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 1.1 t80 -67.44 -43.7 80.5 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.004 1.44 . . . . 1.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.552 HD11 ' CE2' ' A' ' 32' ' ' PHE . 49.3 mm -62.57 -58.47 7.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.054 1.471 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.7 p -59.81 -18.66 45.48 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.93 1.394 . . . . 1.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.67 -38.14 80.67 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.98 1.425 . . . . 1.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.567 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -128.03 6.88 6.01 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 88.1 m-85 -142.16 62.03 13.14 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.947 1.404 . . . . 1.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.98 -47.24 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.549 2.833 . . . . 1.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.515 ' CG ' HG12 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -70.82 -21.81 62.41 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.019 1.45 . . . . 1.0 109.295 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CD1' ' CH2' ' A' ' 47' ' ' TRP . 1.4 t80 -68.51 -49.44 59.6 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.025 1.453 . . . . 1.0 109.278 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -73.38 -33.5 65.07 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.446 . . . . 1.0 109.293 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -14.56 62.01 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.0 10.77 10.18 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.451 . . . . 1.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.81 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.9 t80 -178.83 65.01 0.17 Allowed Pre-proline 0 C--O 1.24 0.594 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.99 -17.75 19.32 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.515 2.81 . . . . 1.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.21 -17.07 64.51 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.01 1.444 . . . . 1.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.81 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -80.14 -1.1 38.76 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.984 1.427 . . . . 1.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -60.46 -41.72 94.73 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.029 1.456 . . . . 1.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 9.2 t30 -80.43 -39.14 28.8 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.008 1.442 . . . . 1.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.414 ' OG ' ' OH ' ' A' ' 8' ' ' TYR . 89.3 p -56.34 -48.95 75.72 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.971 1.419 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 81.9 mt -51.29 -30.82 10.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.439 . . . . 1.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' NE ' ' HG ' ' A' ' 26' ' ' LEU . 12.4 mtp180 -80.21 -37.94 32.15 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.985 1.428 . . . . 1.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -60.04 -61.32 2.7 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -25.68 67.93 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.99 1.431 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.569 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 1.4 mt -58.14 -53.18 61.21 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.005 1.441 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.483 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 3.1 t -81.94 -17.72 46.07 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.8 mp -81.28 -12.0 59.2 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.005 1.44 . . . . 1.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -98.79 -84.45 0.4 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.992 1.432 . . . . 1.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.6 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.1 m-20 -55.64 -52.84 62.46 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.966 1.416 . . . . 1.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER 95.26 37.46 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.002 1.439 . . . . 1.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.6 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -84.88 -176.65 6.31 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.452 . . . . 1.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -119.33 127.0 75.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.041 1.463 . . . . 1.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -104.88 142.38 34.85 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.948 1.405 . . . . 1.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 1.0 OUTLIER -125.87 70.44 66.59 Favored Pre-proline 0 C--O 1.239 0.528 0 O-C-N 124.901 1.376 . . . . 1.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.06 42.3 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.479 2.786 . . . . 1.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER 174.8 68.81 0.0 OUTLIER 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.415 . . . . 1.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 69' ' ' GLY . 10.6 tt0 -110.17 117.01 52.51 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.043 1.464 . . . . 1.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 26.17 0.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.473 2.782 . . . . 1.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 67' ' ' GLU . . . -153.74 34.43 0.74 Allowed Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.285 -1.526 . . . . 1.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.487 ' ND2' ' CE2' ' A' ' 76' ' ' TYR . 50.3 t-20 -127.96 65.63 69.24 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 125.03 1.077 . . . . 1.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.456 ' HD3' ' C ' ' A' ' 69' ' ' GLY . 18.4 Cg_endo -75.01 60.89 5.57 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.477 2.785 . . . . 1.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.48 -85.18 0.69 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.267 -1.533 . . . . 1.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -140.97 -55.89 0.5 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.044 . . . . 1.0 109.337 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.33 -115.49 1.12 Allowed Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.27 -1.532 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 12.0 p30 -131.87 -165.28 1.56 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.022 1.072 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.487 ' CE2' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -157.42 136.8 11.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.993 1.433 . . . . 1.0 109.339 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.549 ' N ' ' CD1' ' A' ' 77' ' ' TRP . 2.3 m0 -95.68 145.87 24.95 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.995 1.434 . . . . 1.0 109.251 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 37.1 p -126.59 136.1 52.1 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.998 1.436 . . . . 1.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.543 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -72.66 131.01 41.85 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.452 . . . . 1.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 82' ' ' GLN . 2.3 t70 -118.21 148.23 43.28 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 41.21 0.72 Allowed 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.503 2.802 . . . . 1.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -91.84 -25.23 19.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.439 . . . . 1.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 t -70.54 -67.44 0.5 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.984 1.428 . . . . 1.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.59 10.93 1.55 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.037 1.461 . . . . 1.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -80.53 -48.59 12.54 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.041 1.463 . . . . 1.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -80.63 -75.67 0.26 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.02 1.45 . . . . 1.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 38.15 33.82 0.06 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.998 1.436 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -178.69 -74.8 0.01 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.994 1.434 . . . . 1.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -60.41 -19.96 57.95 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.48 96.26 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.309 -1.517 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.66 39.26 17.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.981 1.048 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -75.9 -52.58 9.99 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.982 1.426 . . . . 1.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--N 1.345 0.41 0 O-C-N 124.948 1.405 . . . . 1.0 109.286 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.586 0 CA-C-O 118.371 -0.823 . . . . 1.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 4' ' ' PRO . 3.8 t -136.51 -71.74 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.999 1.437 . . . . 1.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 2' ' ' VAL . 5.1 tmtt? -27.91 90.55 0.05 OUTLIER Pre-proline 0 C--O 1.239 0.548 0 O-C-N 124.988 1.43 . . . . 1.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.547 ' N ' ' O ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.98 173.99 13.55 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.507 2.805 . . . . 1.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 91.73 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.496 2.798 . . . . 1.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -126.81 174.23 8.95 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.026 1.454 . . . . 1.0 109.278 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.97 167.31 20.51 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.012 1.445 . . . . 1.0 109.262 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.5 m-85 -81.16 -70.87 0.5 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.058 1.474 . . . . 1.0 109.303 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -47.76 -37.6 6.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.034 1.459 . . . . 1.0 109.325 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.01 -30.43 71.41 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.985 1.428 . . . . 1.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.676 ' CD2' ' CZ ' ' A' ' 37' ' ' PHE . 2.9 tm? -71.9 -57.28 4.45 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.992 1.433 . . . . 1.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' CG2' HD13 ' A' ' 55' ' ' LEU . 2.1 mp -59.16 -42.41 86.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 125.028 1.455 . . . . 1.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -47.08 -37.52 9.74 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.001 1.438 . . . . 1.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.483 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 32.9 ttp -82.76 -35.14 26.81 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.982 1.426 . . . . 1.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -71.1 -30.19 66.23 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.931 1.394 . . . . 1.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 61' ' ' PHE . 11.2 tp -79.65 -51.25 16.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.43 . . . . 1.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 0.9 OUTLIER -60.65 -28.37 68.52 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.987 1.43 . . . . 1.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 2.6 pp0? -49.6 -25.38 2.74 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.989 1.43 . . . . 1.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -69.4 114.79 26.57 Favored Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.03 1.456 . . . . 1.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -75.01 -1.42 11.21 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.492 2.794 . . . . 1.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -140.01 -83.91 0.24 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.971 1.419 . . . . 1.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.43 37.29 0.0 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.02 1.45 . . . . 1.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -142.86 108.08 4.99 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.031 1.457 . . . . 1.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' HB2' HD12 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -117.2 128.66 55.32 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.031 1.457 . . . . 1.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 75' ' ' ASN . 29.2 p -95.95 119.37 34.32 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.98 1.425 . . . . 1.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -49.66 -38.44 32.54 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 1.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.8 p -52.7 -39.18 61.76 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -79.07 -30.96 44.63 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.474 HD12 ' HB2' ' A' ' 24' ' ' LEU . 1.7 mp -59.05 -37.87 70.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 124.95 1.029 . . . . 1.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.43 -56.55 11.87 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.014 1.446 . . . . 1.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -67.25 -33.48 75.42 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' GLY . 1.5 t80 -56.89 -32.25 65.69 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.019 1.449 . . . . 1.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mt -75.18 -57.32 6.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 125.0 1.437 . . . . 1.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 t -54.72 -18.36 4.56 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.965 1.416 . . . . 1.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 10.6 m120 -74.5 -44.56 50.76 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.971 1.419 . . . . 1.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -90.21 -47.81 7.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.995 1.434 . . . . 1.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.676 ' CZ ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -119.0 81.79 20.27 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 125.005 1.441 . . . . 1.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.25 5.6 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.531 2.821 . . . . 1.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -75.02 -26.5 59.53 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.014 1.446 . . . . 1.0 109.292 -179.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CG ' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -65.2 -55.03 20.87 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.02 1.45 . . . . 1.0 109.299 -179.351 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -59.7 -41.37 90.62 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.26 -7.82 53.16 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.019 1.45 . . . . 1.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -104.61 -46.27 4.39 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.988 1.43 . . . . 1.0 109.342 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.739 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.4 t80 -138.28 73.56 43.46 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.037 1.46 . . . . 1.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.95 17.45 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.514 2.809 . . . . 1.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.74 -11.01 59.68 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.979 1.424 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.739 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -89.48 18.27 5.49 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.469 . . . . 1.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.68 -52.15 58.77 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.031 1.457 . . . . 1.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 36.9 t30 -80.32 -27.15 38.46 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.976 1.423 . . . . 1.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.54 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 38.8 m -53.84 -44.27 70.16 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.403 ' CG1' HD12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -72.43 -28.09 27.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.001 1.438 . . . . 1.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.501 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 20.8 mtm180 -65.07 -43.45 92.19 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.957 1.411 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -59.84 -53.34 59.08 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.0 1.437 . . . . 1.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.484 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 5.1 m120 -69.26 -25.78 64.44 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.949 1.406 . . . . 1.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.586 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 11.7 tp -59.39 -50.93 72.05 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 1.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.592 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.1 t -77.94 -27.01 49.24 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.015 1.447 . . . . 1.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.2 mp -84.38 5.42 27.19 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.999 1.437 . . . . 1.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' OD1' ' OD2' ' A' ' 59' ' ' ASP . 14.6 t-20 -94.83 -83.37 0.35 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.031 1.457 . . . . 1.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 21.3 m-20 -79.55 -27.21 41.28 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.961 1.413 . . . . 1.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 75.34 33.67 0.67 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.997 1.436 . . . . 1.0 109.271 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -67.83 -176.17 0.63 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -112.51 125.75 69.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 125.04 1.462 . . . . 1.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.588 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -107.83 151.24 26.0 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.95 1.406 . . . . 1.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 1.3 mp -110.78 95.85 25.8 Favored Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 5.02 4.24 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.512 2.808 . . . . 1.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.86 83.15 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 69' ' ' GLY . 13.0 tp10 -70.87 132.64 86.69 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 125.007 1.442 . . . . 1.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 34.32 0.39 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.534 2.823 . . . . 1.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 67' ' ' GLU . . . 167.56 53.48 0.03 OUTLIER Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.321 -1.512 . . . . 1.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -96.27 159.78 31.25 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.005 1.062 . . . . 1.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -33.46 4.5 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.526 2.818 . . . . 1.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 115.16 54.43 0.38 Allowed Glycine 0 C--N 1.344 1.026 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -137.62 -80.07 0.37 Allowed 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.989 1.052 . . . . 1.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -139.84 -123.49 2.04 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.287 -1.525 . . . . 1.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.44 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 4.1 m-80 -153.73 -156.09 0.65 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.04 1.082 . . . . 1.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -155.77 112.75 3.22 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.005 1.44 . . . . 1.0 109.324 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.588 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 3.0 m0 -89.54 129.67 35.98 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.0 1.438 . . . . 1.0 109.276 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 48.9 p -114.44 141.77 47.24 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.029 1.456 . . . . 1.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.556 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -74.32 124.05 25.75 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.969 1.418 . . . . 1.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -113.0 122.97 34.58 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.041 1.463 . . . . 1.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.91 4.11 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.451 2.768 . . . . 1.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.479 ' HG2' ' CB ' ' A' ' 85' ' ' ASP . 2.9 tt0 70.58 44.44 0.67 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.8 t -82.13 -21.81 36.47 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.431 . . . . 1.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -86.02 -33.26 21.09 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.98 1.425 . . . . 1.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.479 ' CB ' ' HG2' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -80.28 -47.42 14.58 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 87' ' ' PHE . 4.1 ptt? -47.61 -33.77 7.06 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.947 1.404 . . . . 1.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.594 ' O ' ' CG ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -111.04 24.65 12.66 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.985 1.428 . . . . 1.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 t70 177.12 57.37 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.014 1.446 . . . . 1.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' ASP . 21.5 m-80 -79.08 -56.95 3.99 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.963 1.415 . . . . 1.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.17 -71.15 1.29 Allowed Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.1 p 164.69 76.99 0.0 OUTLIER 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.968 1.04 . . . . 1.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -129.33 -53.05 1.18 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.027 1.454 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tp . . . . . 0 C--N 1.345 0.385 0 O-C-N 125.085 1.491 . . . . 1.0 109.297 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.436 -0.793 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.487 HG21 ' CZ ' ' A' ' 40' ' ' TYR . 6.1 p 41.67 29.47 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.951 1.407 . . . . 1.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.619 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -76.3 -46.5 3.51 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.979 1.424 . . . . 1.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.03 177.36 8.7 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.501 2.8 . . . . 1.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.05 177.62 8.36 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.475 2.783 . . . . 1.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.653 ' CZ ' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -140.61 155.38 46.57 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.01 1.444 . . . . 1.0 109.29 -179.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.53 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 1.3 p -127.34 136.6 52.14 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.003 1.439 . . . . 1.0 109.334 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.433 ' OH ' ' CB ' ' A' ' 50' ' ' SER . 3.6 m-85 -82.57 -68.37 0.71 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.959 1.412 . . . . 1.0 109.284 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.428 HD13 ' N ' ' A' ' 10' ' ' ALA . 1.8 pp -45.98 -52.68 2.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.016 1.447 . . . . 1.0 109.316 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' N ' HD13 ' A' ' 9' ' ' ILE . . . -52.15 -29.43 22.06 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.012 1.445 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -82.26 -55.12 4.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.963 1.414 . . . . 1.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.504 ' CG2' ' ND2' ' A' ' 58' ' ' ASN . 1.5 mp -51.43 -48.57 34.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 125.01 1.443 . . . . 1.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -39.64 -41.72 1.09 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.989 1.43 . . . . 1.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.1 ttp -81.98 -36.84 27.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.015 1.447 . . . . 1.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -57.94 -30.57 66.06 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.003 1.44 . . . . 1.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 79' ' ' LEU . 50.3 mm -71.34 -34.43 53.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.982 1.426 . . . . 1.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.39 -29.36 69.87 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.934 1.396 . . . . 1.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.538 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 12.1 mm-40 -44.73 -26.99 0.44 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.437 . . . . 1.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.418 ' OG ' HD23 ' A' ' 24' ' ' LEU . 24.6 m -100.06 106.06 39.17 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.012 1.445 . . . . 1.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.1 Cg_endo -75.04 1.42 7.78 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.539 2.826 . . . . 1.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -84.32 0.65 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.985 1.428 . . . . 1.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.82 40.5 0.0 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.0 1.438 . . . . 1.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.555 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -140.97 109.41 5.9 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.026 1.454 . . . . 1.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 15' ' ' ALA . 2.7 mm? -94.12 130.15 40.42 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.012 1.445 . . . . 1.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.3 p -104.06 107.59 18.55 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.908 1.38 . . . . 1.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 4.1 tp -46.9 -30.12 2.37 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.982 1.426 . . . . 1.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.4 m -65.02 -44.14 90.17 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 1.0 109.252 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -78.8 -25.64 59.99 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 15' ' ' ALA . 5.2 mm -60.55 -56.88 14.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 O-C-N 125.007 1.063 . . . . 1.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 t -66.23 -40.64 90.42 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.998 1.436 . . . . 1.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 11.8 tt0 -64.17 -38.27 90.47 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.985 1.428 . . . . 1.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.515 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -60.1 -56.62 19.41 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.996 1.435 . . . . 1.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.48 HG13 ' CE2' ' A' ' 32' ' ' PHE . 4.5 mt -66.06 -13.83 16.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.992 1.433 . . . . 1.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 27.4 t -82.69 -41.73 18.97 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.966 1.417 . . . . 1.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.515 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -82.27 -26.56 33.05 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.633 ' CG ' ' CE1' ' A' ' 37' ' ' PHE . 14.4 tpt180 -82.33 -43.06 17.93 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.997 1.435 . . . . 1.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CE1' ' CG ' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -129.59 86.1 56.67 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.034 1.459 . . . . 1.0 109.298 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.16 0.42 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.472 2.781 . . . . 1.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -64.02 -30.31 71.4 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.982 1.426 . . . . 1.0 109.282 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.487 ' CZ ' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -70.05 -51.17 34.17 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.997 1.436 . . . . 1.0 109.331 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -64.13 -20.76 66.2 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.299 -179.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -83.13 -26.38 31.02 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.021 1.451 . . . . 1.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -108.23 10.26 27.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.98 1.425 . . . . 1.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.576 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 65.7 t80 174.78 76.53 0.06 OUTLIER Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.016 1.448 . . . . 1.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 6.6 3.33 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.49 2.793 . . . . 1.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . . . -85.8 25.42 1.1 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.01 1.444 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.653 ' CH2' ' CZ ' ' A' ' 6' ' ' TYR . 72.7 m95 -69.25 -57.03 5.88 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.951 1.407 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -46.88 -27.62 1.31 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.023 1.452 . . . . 1.0 109.304 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -82.27 -51.77 7.6 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.954 1.409 . . . . 1.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.433 ' CB ' ' OH ' ' A' ' 8' ' ' TYR . 22.0 p -64.56 -51.0 65.07 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.021 1.451 . . . . 1.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.565 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 2.8 pt -62.13 -35.8 70.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.979 1.424 . . . . 1.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 9.4 mtt180 -51.08 -42.83 60.86 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.962 1.414 . . . . 1.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 2.1 m-70 -81.55 -57.68 3.36 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.027 1.454 . . . . 1.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -51.85 -46.3 64.34 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.017 1.448 . . . . 1.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.63 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 22.4 tp -54.21 -52.2 62.02 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.028 1.455 . . . . 1.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 p -70.28 -34.82 73.23 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.991 1.432 . . . . 1.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.2 mp -86.62 17.18 4.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.968 1.418 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 10.5 t30 -100.13 -87.02 0.38 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.06 1.475 . . . . 1.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 41.8 m-20 -82.53 -34.57 27.83 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.052 1.47 . . . . 1.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 89.89 40.72 0.01 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.63 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -69.52 -175.8 0.89 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.983 1.427 . . . . 1.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.77 114.62 46.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.039 1.462 . . . . 1.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -104.38 147.0 28.03 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.008 1.442 . . . . 1.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.593 ' O ' HG12 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -97.38 108.19 43.29 Favored Pre-proline 0 C--O 1.241 0.619 0 O-C-N 125.028 1.455 . . . . 1.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 12.81 1.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.557 2.838 . . . . 1.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.424 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 0.5 OUTLIER 177.88 84.01 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.044 1.465 . . . . 1.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' A' ' 74' ' ' GLY . 7.8 pt-20 -67.66 111.25 7.01 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 125.009 1.443 . . . . 1.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.98 54.47 3.64 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.513 2.808 . . . . 1.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.02 -53.7 0.02 OUTLIER Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.46 ' ND2' ' OH ' ' A' ' 76' ' ' TYR . 43.8 m-80 -83.59 159.31 61.4 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 125.062 1.095 . . . . 1.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.97 -18.06 19.12 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.549 2.832 . . . . 1.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.93 71.13 0.33 Allowed Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -119.65 -55.22 2.12 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.049 1.088 . . . . 1.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.487 ' O ' ' OE1' ' A' ' 67' ' ' GLU . . . -142.2 167.2 26.15 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.486 ' HB3' ' CD1' ' A' ' 64' ' ' ILE . 82.1 m-20 -120.09 -175.37 2.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.999 1.058 . . . . 1.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.495 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -146.85 90.11 1.88 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.963 1.414 . . . . 1.0 109.297 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.577 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 4.1 m0 -77.43 137.25 38.58 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.035 1.46 . . . . 1.0 109.27 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 18.7 m -114.02 134.53 54.8 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.488 ' CD1' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -72.31 135.64 46.01 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.995 1.434 . . . . 1.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 82' ' ' GLN . 1.2 p30 -135.08 88.48 26.41 Favored Pre-proline 0 C--O 1.24 0.587 0 O-C-N 124.997 1.436 . . . . 1.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 31.15 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.482 2.788 . . . . 1.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 80' ' ' ASP . 2.5 pp0? -106.85 -25.3 11.74 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.436 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.458 ' C ' ' N ' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -79.94 -73.78 0.33 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.95 1.406 . . . . 1.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 8.8 pt-20 43.62 22.0 0.03 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.034 1.458 . . . . 1.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.458 ' N ' ' C ' ' A' ' 83' ' ' SER . 1.8 t0 -85.07 -22.41 28.98 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.981 1.425 . . . . 1.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 60.3 tpp -42.87 -34.43 0.95 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.972 1.42 . . . . 1.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 88' ' ' ASP . 21.1 p90 -108.94 -44.98 3.87 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.014 1.446 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -53.02 -35.32 59.31 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.98 1.425 . . . . 1.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -51.93 -40.44 60.8 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.02 -63.88 2.99 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 12.2 p -176.15 -55.25 0.01 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.989 1.053 . . . . 1.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 91' ' ' SER . 92.6 m-85 -163.97 -58.14 0.04 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.023 1.452 . . . . 1.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.345 0.393 0 O-C-N 125.037 1.461 . . . . 1.0 109.319 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 mmt . . . . . 0 C--O 1.24 0.583 0 CA-C-O 118.438 -0.791 . . . . 1.0 109.283 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.586 HG12 ' CG ' ' A' ' 39' ' ' TYR . 10.5 p -165.46 -49.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.937 1.398 . . . . 1.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' N ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 179.63 121.53 0.22 Allowed Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.942 1.401 . . . . 1.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.99 4.75 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.496 2.797 . . . . 1.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.99 137.17 21.39 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.525 2.817 . . . . 1.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.45 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 1.1 p90 -138.39 -63.86 0.54 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.973 1.42 . . . . 1.0 109.342 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.402 ' O ' HD11 ' A' ' 11' ' ' LEU . 66.5 m -141.0 131.41 25.2 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.019 1.45 . . . . 1.0 109.301 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -24.26 55.32 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.026 1.454 . . . . 1.0 109.288 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 mm -51.12 -40.0 21.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 125.011 1.444 . . . . 1.0 109.292 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.99 85.61 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.954 1.409 . . . . 1.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 ' HG ' ' CZ ' ' A' ' 37' ' ' PHE . 7.0 mp -66.87 -39.45 87.52 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.014 1.446 . . . . 1.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' A' ' 55' ' ' LEU . 41.3 mm -55.46 -45.99 78.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.975 1.422 . . . . 1.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -45.37 -40.21 7.7 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.936 1.397 . . . . 1.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.449 ' CE ' ' HG3' ' A' ' 36' ' ' ARG . 42.8 ttp -80.81 -35.02 33.56 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.998 1.436 . . . . 1.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.53 ' HA ' ' CE1' ' A' ' 32' ' ' PHE . . . -60.1 -54.03 50.79 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.015 1.447 . . . . 1.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.475 HD12 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -64.29 -41.23 91.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.415 . . . . 1.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.85 -37.96 64.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.955 1.41 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -52.01 -20.33 2.35 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.024 1.453 . . . . 1.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.47 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 66.3 m -114.4 81.81 7.04 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.004 1.44 . . . . 1.0 109.304 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.5 Cg_endo -75.05 3.01 6.02 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.505 2.804 . . . . 1.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -110.26 -77.98 0.59 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.004 1.44 . . . . 1.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 5.6 mtmm 163.55 44.32 0.0 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.002 1.439 . . . . 1.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 95.7 3.13 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.032 1.457 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 3.7 mt -119.52 114.82 22.85 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.949 1.405 . . . . 1.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' GLY . 19.7 p -102.87 115.18 30.1 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.022 1.451 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' CD2' ' CZ ' ' A' ' 52' ' ' ARG . 1.3 tp -43.96 -35.16 1.93 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.967 1.417 . . . . 1.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -70.32 -41.23 73.54 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.959 1.412 . . . . 1.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.09 -20.32 70.35 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 109.304 -1.518 . . . . 1.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.2 mp -78.98 -45.77 24.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.97 1.041 . . . . 1.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -60.63 -44.11 96.73 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.009 1.443 . . . . 1.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.37 -23.87 64.72 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.007 1.442 . . . . 1.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -74.08 -45.36 49.79 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.968 1.417 . . . . 1.0 109.345 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -66.05 -50.19 71.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.972 1.42 . . . . 1.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 84.8 p -56.62 -23.46 41.15 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.982 1.426 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -75.45 -51.96 11.82 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.003 1.439 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' HG3' ' CE ' ' A' ' 14' ' ' MET . 12.9 mmt180 -75.77 -51.04 13.52 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.952 1.408 . . . . 1.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CZ ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -115.54 80.9 8.4 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -33.73 4.3 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.535 2.823 . . . . 1.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.586 ' CG ' HG12 ' A' ' 2' ' ' VAL . 2.5 m-85 -75.73 -25.48 56.63 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.623 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -62.21 -51.78 66.4 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 1.0 109.29 -179.349 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 34' ' ' SER . 0.3 OUTLIER -73.63 -29.12 62.16 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.997 1.436 . . . . 1.0 109.304 -179.53 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.74 -13.74 58.72 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.036 1.46 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -121.2 11.2 10.81 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.006 1.441 . . . . 1.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.792 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.9 t80 179.77 65.1 0.13 Allowed Pre-proline 0 C--O 1.24 0.601 0 O-C-N 124.98 1.425 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -75.0 -14.91 20.99 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.531 2.821 . . . . 1.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.49 -10.68 59.8 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.958 1.411 . . . . 1.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.792 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -89.03 12.34 15.81 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.982 1.426 . . . . 1.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.84 -49.27 73.45 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.973 1.421 . . . . 1.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -82.28 -36.79 26.7 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 p -57.26 -54.57 45.34 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.965 1.416 . . . . 1.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 tt -54.71 -30.14 22.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.005 1.44 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.549 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 1.1 mtm180 -70.58 -39.99 73.54 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.972 1.42 . . . . 1.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.455 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 1.9 m170 -61.82 -59.69 4.77 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.0 1.438 . . . . 1.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -61.8 -26.11 67.9 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.943 1.402 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' CD1' HD13 ' A' ' 12' ' ' ILE . 1.1 tp -62.63 -49.26 75.88 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.98 1.425 . . . . 1.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.5 t -83.54 -17.56 41.42 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.437 . . . . 1.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 mp -83.74 -21.85 32.13 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.028 1.455 . . . . 1.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -87.31 -79.3 0.28 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.973 1.421 . . . . 1.0 109.316 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.707 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 3.8 m-20 -56.98 -51.27 69.87 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.991 1.432 . . . . 1.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 81.36 46.13 0.03 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.967 1.417 . . . . 1.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.707 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -88.25 -178.48 5.93 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.059 1.474 . . . . 1.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 75.2 t -117.4 127.36 74.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 1.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.6 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -102.69 165.09 11.26 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.017 1.448 . . . . 1.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.459 ' N ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 pt -114.49 83.58 8.84 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 124.949 1.406 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.0 16.62 0.64 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.517 2.811 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' H ' ' C ' ' A' ' 64' ' ' ILE . 3.0 ttm-85 175.76 88.02 0.01 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.984 1.428 . . . . 1.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -137.4 172.99 5.94 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 124.946 1.404 . . . . 1.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.439 ' CD ' ' HG3' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.05 80.55 2.42 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.48 2.787 . . . . 1.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.24 42.45 0.25 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.264 -1.534 . . . . 1.0 109.264 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.531 ' CB ' ' HD3' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -84.86 -53.83 0.47 Allowed Pre-proline 0 C--O 1.239 0.544 0 O-C-N 125.021 1.071 . . . . 1.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HD3' ' CB ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.95 53.79 3.42 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.511 2.808 . . . . 1.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -128.29 -52.9 0.12 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.3 -1.52 . . . . 1.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -136.41 -80.27 0.4 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.016 1.068 . . . . 1.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.98 -111.4 0.89 Allowed Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.32 -1.512 . . . . 1.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.443 ' O ' ' CG2' ' A' ' 25' ' ' THR . 6.4 m-80 -146.56 -160.61 1.18 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.046 1.086 . . . . 1.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 38.2 m-85 -145.84 86.27 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.952 1.407 . . . . 1.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.6 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 5.8 m0 -81.64 125.92 31.14 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.272 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 40.8 p -120.31 143.45 48.36 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.971 1.42 . . . . 1.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 82' ' ' GLN . 0.1 OUTLIER -71.08 135.44 47.71 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.957 1.411 . . . . 1.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.598 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -73.65 -47.69 6.98 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 125.018 1.449 . . . . 1.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.5 Cg_endo -74.97 -23.36 13.95 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.542 2.828 . . . . 1.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 79' ' ' LEU . 11.2 tt0 -85.78 -47.7 9.48 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.993 1.433 . . . . 1.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 84' ' ' GLU . 28.2 p -63.98 -63.38 1.17 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.986 1.429 . . . . 1.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER 78.3 -7.14 1.85 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.025 1.453 . . . . 1.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -81.61 -51.82 7.83 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.909 1.38 . . . . 1.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.445 ' HG3' ' N ' ' A' ' 87' ' ' PHE . 1.6 ptm -51.25 -23.15 3.21 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.002 1.439 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.445 ' N ' ' HG3' ' A' ' 86' ' ' MET . 64.0 t80 -56.0 -43.94 78.18 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.007 1.442 . . . . 1.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -139.6 -52.1 0.53 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.007 1.442 . . . . 1.0 109.354 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' ASP . 16.6 m-80 -47.39 -29.7 2.78 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.443 . . . . 1.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.22 -71.43 1.27 Allowed Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.309 -1.516 . . . . 1.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.5 t 162.91 78.67 0.0 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.004 1.061 . . . . 1.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.81 -57.03 0.16 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.035 1.46 . . . . 1.0 109.269 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--N 1.344 0.359 0 O-C-N 125.0 1.438 . . . . 1.0 109.314 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.347 -0.835 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.563 ' CG2' ' CZ ' ' A' ' 39' ' ' TYR . 4.6 m -140.31 21.38 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.045 1.466 . . . . 1.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.59 166.9 3.93 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.009 1.443 . . . . 1.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 148.39 35.24 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.493 2.795 . . . . 1.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HB3' ' OH ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.0 69.34 5.58 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.472 2.781 . . . . 1.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -140.53 -25.1 0.77 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.045 1.466 . . . . 1.0 109.329 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.462 ' C ' HD11 ' A' ' 11' ' ' LEU . 1.5 t -66.25 -74.1 0.12 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.952 1.408 . . . . 1.0 109.258 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.799 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 52.7 p90 -51.44 -23.43 3.88 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD12 ' CE2' ' A' ' 8' ' ' TYR . 35.7 mm -67.61 -33.44 62.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.969 1.418 . . . . 1.0 109.357 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.91 3.25 16.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.017 1.448 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.799 ' HB2' ' HA ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -81.76 -42.74 19.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 1.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 1.1 mp -41.91 -33.66 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.991 1.432 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 m -53.17 -36.48 60.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.076 1.485 . . . . 1.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 mtm -81.19 -43.66 18.97 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -57.42 -28.21 63.07 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.974 1.421 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.531 HD12 ' CE2' ' A' ' 61' ' ' PHE . 35.3 mm -85.47 -50.97 14.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.973 1.421 . . . . 1.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -63.13 -41.84 99.4 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.973 1.421 . . . . 1.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -47.85 -24.85 1.1 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -67.82 114.93 22.97 Favored Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.971 1.42 . . . . 1.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.51 8.82 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.517 2.811 . . . . 1.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -140.2 -84.53 0.23 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.013 1.446 . . . . 1.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 176.23 35.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.993 1.433 . . . . 1.0 109.37 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 24.5 mttp -144.88 113.39 6.65 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.972 1.42 . . . . 1.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -115.63 130.06 56.72 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.039 1.462 . . . . 1.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 75' ' ' ASN . 40.0 p -90.95 112.99 25.11 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.033 1.458 . . . . 1.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -44.58 -25.9 0.31 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.98 1.425 . . . . 1.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.0 m -64.9 -47.39 77.98 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.005 1.441 . . . . 1.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.43 -19.0 69.84 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.47 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 24.7 mm -75.55 -52.92 17.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.001 1.06 . . . . 1.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.4 p -57.59 -34.79 69.61 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.977 1.423 . . . . 1.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -81.81 -30.56 32.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.972 1.42 . . . . 1.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.46 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -62.68 -43.55 98.53 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.456 . . . . 1.0 109.278 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.499 HG21 ' CD2' ' A' ' 37' ' ' PHE . 3.1 mt -71.95 -47.71 54.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.27 -26.34 0.78 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.049 1.468 . . . . 1.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.52 -38.52 91.3 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.943 1.402 . . . . 1.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ILE . 5.6 mmp_? -82.67 -40.86 20.13 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.044 1.465 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.513 ' CZ ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -123.91 81.22 56.32 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.034 1.459 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -37.76 1.94 Allowed 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.488 2.792 . . . . 1.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CZ ' ' CG2' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -79.46 -2.55 42.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.959 1.412 . . . . 1.0 109.324 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.744 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 1.1 t80 -85.73 -47.33 9.87 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.974 1.421 . . . . 1.0 109.261 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -74.32 -50.58 18.19 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.972 1.42 . . . . 1.0 109.352 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' CG ' ' HA ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -60.65 -14.47 20.84 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.994 1.434 . . . . 1.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -123.5 16.16 9.63 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.994 1.434 . . . . 1.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.754 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.6 t80 178.77 64.34 0.11 Allowed Pre-proline 0 C--O 1.24 0.605 0 O-C-N 124.988 1.43 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -75.01 -10.41 21.18 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.463 2.775 . . . . 1.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.55 -21.12 61.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.96 1.412 . . . . 1.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.754 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -81.96 0.89 37.96 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.029 1.456 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -56.32 -40.68 74.78 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.964 1.415 . . . . 1.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -82.67 -31.66 28.53 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.002 1.439 . . . . 1.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.8 p -58.93 -53.24 60.62 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.493 ' CD1' ' CB ' ' A' ' 8' ' ' TYR . 1.8 tt -57.59 -27.95 30.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.947 1.404 . . . . 1.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -75.9 -35.01 59.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.967 1.417 . . . . 1.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -63.97 -57.3 10.14 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.948 1.405 . . . . 1.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -53.56 -26.11 19.99 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD21 ' CZ3' ' A' ' 77' ' ' TRP . 8.0 tp -72.49 -47.46 48.46 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.994 1.434 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.2 t -83.11 -13.52 55.49 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.982 1.426 . . . . 1.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.6 mm? -88.04 -19.04 27.66 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.06 1.475 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -88.91 -79.92 0.3 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.021 1.451 . . . . 1.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.628 ' CB ' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -63.6 -48.77 76.01 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.012 1.445 . . . . 1.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 80.59 26.93 0.26 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.034 1.459 . . . . 1.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.715 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -64.78 -168.04 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.968 1.417 . . . . 1.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.12 144.15 18.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -132.31 158.37 42.05 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 1.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.576 ' CD1' ' CE2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -118.39 78.89 14.79 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 125.03 1.456 . . . . 1.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -75.06 22.82 0.41 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.484 2.789 . . . . 1.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.474 ' H ' ' C ' ' A' ' 64' ' ' ILE . 0.6 OUTLIER 175.53 72.98 0.01 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.012 1.445 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HB3' ' ND2' ' A' ' 70' ' ' ASN . 2.4 tp10 -87.99 126.18 61.96 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.995 1.434 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 51.86 2.9 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.526 2.817 . . . . 1.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.37 68.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' OD1' ' OH ' ' A' ' 76' ' ' TYR . 3.0 m-20 -132.8 63.81 68.76 Favored Pre-proline 0 C--O 1.239 0.535 0 O-C-N 125.013 1.067 . . . . 1.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.99 55.49 3.96 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.528 2.819 . . . . 1.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.27 -90.83 1.31 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.346 -1.502 . . . . 1.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -143.51 -51.29 0.33 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.998 1.058 . . . . 1.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.03 -108.75 0.64 Allowed Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.493 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -141.59 -150.12 0.3 Allowed 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.95 1.029 . . . . 1.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.576 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -153.55 133.07 12.9 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.021 1.45 . . . . 1.0 109.318 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.559 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 6.9 m0 -111.65 133.79 53.66 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.036 1.46 . . . . 1.0 109.3 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 75.0 p -104.53 -144.44 0.37 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.037 1.461 . . . . 1.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.715 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -141.96 124.5 15.81 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.015 1.447 . . . . 1.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.533 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -77.98 -51.51 1.7 Allowed Pre-proline 0 C--O 1.239 0.548 0 O-C-N 124.968 1.418 . . . . 1.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.4 Cg_endo -74.98 115.64 4.35 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.548 2.832 . . . . 1.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.43 ' HG2' ' CB ' ' A' ' 85' ' ' ASP . 0.9 OUTLIER 79.37 39.0 0.11 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.017 1.448 . . . . 1.0 109.302 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -80.89 -49.42 11.05 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.047 1.467 . . . . 1.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -106.17 33.72 3.69 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.249 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.43 ' CB ' ' HG2' ' A' ' 82' ' ' GLN . 20.1 p-10 -74.31 -47.12 36.63 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.968 1.418 . . . . 1.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.4 ttm -81.15 -68.22 0.71 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.5 p90 174.07 -47.81 0.01 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.954 1.409 . . . . 1.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -150.82 24.98 0.75 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.923 1.389 . . . . 1.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -77.63 -35.68 52.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.006 1.442 . . . . 1.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' SER . . . -78.33 -70.36 1.32 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 90' ' ' GLY . 5.7 p 156.32 80.37 0.0 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.065 1.097 . . . . 1.0 109.254 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -159.04 62.4 0.41 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.041 1.463 . . . . 1.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.536 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.389 0 O-C-N 124.979 1.424 . . . . 1.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.534 ' HA ' ' CD1' ' A' ' 6' ' ' TYR . 7.8 ttp . . . . . 0 C--O 1.239 0.535 0 CA-C-O 118.427 -0.797 . . . . 1.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 39' ' ' TYR . 14.7 p -105.69 -47.84 9.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.006 1.441 . . . . 1.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.66 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -141.78 -64.42 0.02 OUTLIER Pre-proline 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 1.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.02 172.35 16.53 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.496 2.797 . . . . 1.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.52 14.36 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.457 2.771 . . . . 1.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER -79.63 110.79 15.3 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.019 1.45 . . . . 1.0 109.304 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 4.9 m -140.21 127.99 21.84 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.989 1.431 . . . . 1.0 109.234 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' LEU . 37.6 m-85 -81.85 -71.0 0.5 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.281 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -43.59 -29.28 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 125.029 1.456 . . . . 1.0 109.29 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 7' ' ' SER . . . -69.63 -48.86 58.49 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.977 1.423 . . . . 1.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.537 ' CD1' HD13 ' A' ' 12' ' ' ILE . 1.9 pp -78.74 -25.13 44.5 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.537 HD13 ' CD1' ' A' ' 11' ' ' LEU . 1.2 mp -80.28 -41.71 20.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.3 m -51.43 -39.26 57.0 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.046 1.466 . . . . 1.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.4 ptt? -75.35 -31.2 60.47 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.077 1.486 . . . . 1.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.579 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -63.88 -52.47 59.83 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.036 1.46 . . . . 1.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.4 -45.26 93.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 125.019 1.449 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 13' ' ' THR . 6.4 mp -60.02 -31.58 70.07 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.038 1.461 . . . . 1.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.579 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -49.63 -22.0 1.19 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.947 1.405 . . . . 1.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -110.65 92.94 15.27 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.967 1.417 . . . . 1.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.02 10.3 1.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.514 2.809 . . . . 1.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -117.06 -79.32 0.59 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.968 1.417 . . . . 1.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 83' ' ' SER . 8.7 mttt 163.96 39.54 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 1.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.99 111.12 7.84 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.442 . . . . 1.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 16' ' ' ILE . 3.6 mt -121.67 117.08 25.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.968 1.418 . . . . 1.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.408 ' C ' HD11 ' A' ' 29' ' ' ILE . 15.3 p -101.07 116.81 33.71 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.998 1.436 . . . . 1.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.681 HD12 ' CG ' ' A' ' 52' ' ' ARG . 4.4 tt -47.59 -38.56 14.71 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.964 1.415 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -61.98 -44.69 96.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.922 1.389 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -73.71 -39.72 47.67 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.408 HD11 ' C ' ' A' ' 25' ' ' THR . 1.4 mp -56.37 -51.31 65.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 125.031 1.077 . . . . 1.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 t -56.35 -51.7 67.29 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.039 1.462 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -65.66 -26.79 67.95 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.007 1.442 . . . . 1.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -69.27 -39.51 78.35 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.516 HD11 ' CE2' ' A' ' 32' ' ' PHE . 39.0 mm -65.28 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.45 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.9 p -48.02 -22.64 0.63 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.033 1.458 . . . . 1.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -59.29 -37.87 78.76 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.007 1.442 . . . . 1.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HD2' ' SD ' ' A' ' 14' ' ' MET . 0.6 OUTLIER -136.46 17.69 3.14 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.024 1.453 . . . . 1.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.674 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 2.2 m-85 -141.08 51.0 2.15 Favored Pre-proline 0 C--O 1.24 0.557 0 O-C-N 124.949 1.406 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -75.04 -47.54 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.524 2.816 . . . . 1.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CE1' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -62.66 -18.65 62.73 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.004 1.44 . . . . 1.0 109.314 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 6' ' ' TYR . 1.0 OUTLIER -82.4 -51.59 7.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.004 1.44 . . . . 1.0 109.296 -179.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -62.02 -48.11 81.75 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 1.0 109.313 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 39' ' ' TYR . 10.1 pt-20 -65.88 -18.84 65.61 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.978 1.424 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -93.45 -34.04 13.57 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.996 1.435 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.822 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -149.34 73.53 9.93 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 124.97 1.419 . . . . 1.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -13.11 21.49 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.491 2.794 . . . . 1.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.87 -16.86 42.86 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.03 1.456 . . . . 1.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.822 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -79.85 11.87 3.02 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.981 1.425 . . . . 1.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.29 -50.38 73.11 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.011 1.444 . . . . 1.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.442 ' HA ' ' HB2' ' A' ' 52' ' ' ARG . 15.8 t-20 -74.64 -36.69 62.89 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.002 1.439 . . . . 1.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -42.67 29.19 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.06 1.475 . . . . 1.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 3.1 mt -72.79 -30.16 32.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 125.012 1.445 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.681 ' CG ' HD12 ' A' ' 26' ' ' LEU . 6.7 mtp180 -56.66 -47.06 80.62 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.021 1.451 . . . . 1.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.558 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -57.6 -57.46 12.62 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.996 1.435 . . . . 1.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -32.8 71.58 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.977 1.423 . . . . 1.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.561 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -55.27 -54.56 41.97 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.942 1.401 . . . . 1.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.6 t -77.94 -31.63 51.09 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.02 1.45 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 6.0 mp -82.62 19.74 1.24 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.981 1.425 . . . . 1.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -103.63 -87.11 0.43 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.945 1.403 . . . . 1.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.63 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 9.4 m-20 -85.43 -36.62 20.52 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.985 1.428 . . . . 1.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 22.1 m 90.51 55.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.021 1.451 . . . . 1.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.63 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.11 -167.64 0.42 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.037 1.461 . . . . 1.0 109.326 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.9 m -127.94 118.54 48.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.024 1.452 . . . . 1.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.544 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 8.8 ttpp -90.13 146.3 24.4 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.023 1.452 . . . . 1.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.458 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 1.1 pt -115.86 79.29 7.83 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.964 1.415 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.97 18.0 0.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.525 2.817 . . . . 1.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 64' ' ' ILE . 13.2 ttm180 175.56 84.45 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.947 1.405 . . . . 1.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.68 146.4 35.92 Favored Pre-proline 0 C--O 1.24 0.598 0 O-C-N 124.988 1.43 . . . . 1.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 47.82 1.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.552 2.835 . . . . 1.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.46 49.17 0.09 OUTLIER Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.285 -1.526 . . . . 1.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -139.98 130.49 14.08 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.978 1.046 . . . . 1.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.95 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.503 2.802 . . . . 1.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.07 68.12 0.48 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -140.3 -57.84 0.54 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.041 1.083 . . . . 1.0 109.343 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -135.99 -141.02 4.26 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -158.17 -173.26 4.25 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.99 1.053 . . . . 1.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.415 ' CD2' HD12 ' A' ' 64' ' ' ILE . 6.1 m-85 -133.79 95.99 3.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.962 1.414 . . . . 1.0 109.245 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.551 ' CZ3' ' CD1' ' A' ' 55' ' ' LEU . 7.3 m0 -83.02 129.52 35.04 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.042 1.464 . . . . 1.0 109.306 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.412 ' C ' ' HB3' ' A' ' 61' ' ' PHE . 27.2 m -124.86 143.41 50.85 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.986 1.429 . . . . 1.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.64 121.55 17.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.005 1.44 . . . . 1.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.604 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 1.3 t0 -78.51 -47.86 1.88 Allowed Pre-proline 0 C--O 1.24 0.573 0 O-C-N 125.031 1.457 . . . . 1.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.3 Cg_endo -74.97 113.8 3.88 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.51 2.807 . . . . 1.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 81' ' ' PRO . 5.8 mm-40 75.29 42.63 0.23 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.041 1.463 . . . . 1.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.447 ' O ' ' NZ ' ' A' ' 22' ' ' LYS . 75.7 p -78.18 -50.56 11.71 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 1.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.21 -39.36 82.42 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.016 1.447 . . . . 1.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -48.01 80.17 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.993 1.433 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -36.83 24.53 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 87' ' ' PHE . 31.1 t80 -101.91 30.05 4.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.023 1.452 . . . . 1.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 t70 179.34 53.71 0.0 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.984 1.427 . . . . 1.0 109.259 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.05 -48.78 12.74 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.968 1.417 . . . . 1.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.01 -57.39 3.04 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.4 p 57.31 48.65 14.56 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.007 1.063 . . . . 1.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -134.79 -57.89 0.82 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.006 1.441 . . . . 1.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.345 0.405 0 O-C-N 125.025 1.453 . . . . 1.0 109.321 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.499 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.596 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.297 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.593 HG22 ' CG ' ' A' ' 39' ' ' TYR . 0.9 OUTLIER 49.49 16.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.974 1.421 . . . . 1.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -34.61 94.8 0.08 OUTLIER Pre-proline 0 C--O 1.24 0.562 0 O-C-N 125.029 1.455 . . . . 1.0 109.252 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.545 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 18.1 Cg_endo -75.08 118.91 5.41 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.497 2.798 . . . . 1.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 101.97 1.53 Allowed 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.529 2.819 . . . . 1.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.517 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 2.7 p90 -138.45 -176.39 4.45 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.0 1.437 . . . . 1.0 109.348 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.23 137.23 53.79 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.997 1.436 . . . . 1.0 109.311 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -63.8 -61.73 2.11 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 10' ' ' ALA . 41.6 pt -55.53 -44.42 76.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.007 1.442 . . . . 1.0 109.293 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -55.58 -27.89 51.89 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.545 HD12 ' CE1' ' A' ' 37' ' ' PHE . 7.1 tt -82.4 -53.03 6.33 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.423 . . . . 1.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.9 mm -48.5 -47.36 14.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.991 1.432 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 10' ' ' ALA . 26.8 p -42.95 -36.0 1.4 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.001 1.438 . . . . 1.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -35.9 28.26 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.974 1.421 . . . . 1.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.586 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -64.0 -44.39 92.8 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.955 1.409 . . . . 1.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.502 HD12 ' CD1' ' A' ' 79' ' ' LEU . 5.9 tp -59.1 -45.85 92.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.455 . . . . 1.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -34.2 10.96 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.011 1.444 . . . . 1.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.586 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 20.4 mm100 -47.24 -32.99 5.01 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.028 1.455 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 21' ' ' GLN . 93.9 p -114.25 86.99 12.66 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.0 1.437 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 19.46 0.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.486 2.791 . . . . 1.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' H ' ' C ' ' A' ' 19' ' ' SER . 1.6 mm-40 -128.46 -87.52 0.55 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.96 1.413 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -178.71 41.27 0.0 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.009 1.443 . . . . 1.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -140.32 103.1 4.5 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.99 1.432 . . . . 1.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.499 ' CD2' HD12 ' A' ' 29' ' ' ILE . 6.6 mt -106.14 132.82 51.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.009 1.443 . . . . 1.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' GLY . 69.9 p -120.47 93.94 4.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.946 1.404 . . . . 1.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.474 HD13 ' CZ ' ' A' ' 52' ' ' ARG . 2.5 tm? -42.84 -34.58 0.97 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.033 1.458 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.2 p -58.99 -46.75 87.38 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 1.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -73.63 -39.75 48.22 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.288 -1.525 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.499 HD12 ' CD2' ' A' ' 24' ' ' LEU . 1.8 mp -56.02 -44.66 79.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 125.002 1.06 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.403 ' SG ' ' OE1' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -58.62 -43.98 89.82 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.01 1.443 . . . . 1.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.12 -31.49 72.38 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.964 1.415 . . . . 1.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.511 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -70.49 -49.88 43.77 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.957 1.411 . . . . 1.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.511 HG13 ' CE2' ' A' ' 32' ' ' PHE . 1.9 mt -64.08 -53.49 43.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.993 1.433 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.4 m -44.37 -33.03 1.5 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.952 1.408 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -79.41 -37.77 36.38 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.993 1.433 . . . . 1.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 4.3 mpt_? -74.7 -43.77 53.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.994 1.434 . . . . 1.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CE1' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -128.77 83.33 66.52 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.56 5.27 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.563 2.842 . . . . 1.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.593 ' CG ' HG22 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -75.38 -28.35 59.46 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.989 1.431 . . . . 1.0 109.274 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.606 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -61.61 -54.61 40.6 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.0 1.438 . . . . 1.0 109.284 -179.304 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -32.93 72.05 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.97 1.419 . . . . 1.0 109.298 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.47 -5.59 58.79 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.062 1.476 . . . . 1.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 1' ' ' MET . 12.8 ttpp -109.04 -47.71 3.39 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.979 1.424 . . . . 1.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.774 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -135.71 74.58 58.39 Favored Pre-proline 0 C--O 1.24 0.596 0 O-C-N 125.016 1.447 . . . . 1.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -10.92 21.26 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.492 2.794 . . . . 1.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.47 -9.99 59.59 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.97 1.419 . . . . 1.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.774 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -87.03 18.46 3.57 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.028 1.455 . . . . 1.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.404 ' O ' HG23 ' A' ' 51' ' ' ILE . 1.5 tp60 -61.45 -48.63 80.28 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.987 1.429 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 9.5 t-20 -83.72 -27.77 28.73 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.944 1.403 . . . . 1.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -54.74 -47.98 73.15 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.013 1.446 . . . . 1.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 48' ' ' GLN . 7.8 tt -65.1 -34.16 68.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.959 1.412 . . . . 1.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' CZ ' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.57 -48.16 81.85 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.977 1.423 . . . . 1.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.458 ' O ' HD21 ' A' ' 57' ' ' LEU . 3.1 t60 -52.91 -48.71 67.03 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.998 1.437 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 58' ' ' ASN . 22.7 m120 -72.55 -29.7 63.8 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.043 1.464 . . . . 1.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.597 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -54.72 -52.67 61.74 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.019 1.45 . . . . 1.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.597 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -76.57 -31.6 57.64 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.013 1.445 . . . . 1.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.458 HD21 ' O ' ' A' ' 53' ' ' HIS . 4.5 mm? -84.86 12.23 7.81 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.971 1.419 . . . . 1.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.464 ' ND2' ' CG2' ' A' ' 12' ' ' ILE . 13.2 t30 -97.27 -77.88 0.49 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.952 1.408 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.74 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.2 m-20 -75.79 -60.6 2.24 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.993 1.433 . . . . 1.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.685 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 21.7 p 128.55 44.25 0.0 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.997 1.435 . . . . 1.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.74 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -104.63 179.83 4.16 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -121.77 164.15 19.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.98 1.425 . . . . 1.0 109.268 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.413 ' HB3' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -123.08 163.88 19.67 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.982 1.426 . . . . 1.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pp -114.07 85.45 10.15 Favored Pre-proline 0 C--O 1.239 0.533 0 O-C-N 124.982 1.426 . . . . 1.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.01 44.68 1.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.515 2.81 . . . . 1.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER 175.31 86.1 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -64.93 110.52 4.26 Favored Pre-proline 0 C--O 1.24 0.583 0 O-C-N 124.999 1.437 . . . . 1.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.98 14.94 0.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.517 2.811 . . . . 1.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 67' ' ' GLU . . . 147.16 79.19 0.03 OUTLIER Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.329 -1.508 . . . . 1.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.404 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 18.2 m-20 -123.52 162.93 37.53 Favored Pre-proline 0 C--O 1.24 0.584 0 O-C-N 124.978 1.046 . . . . 1.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 70' ' ' ASN . 18.2 Cg_endo -75.01 -25.18 12.09 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.53 2.82 . . . . 1.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.41 60.84 0.6 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.48 -76.47 0.58 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.995 1.056 . . . . 1.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.3 -127.92 2.07 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.425 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 7.5 m120 -137.38 -175.45 4.07 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.026 1.074 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.573 ' CD1' ' HD2' ' A' ' 23' ' ' LYS . 8.3 m-85 -134.91 101.92 5.06 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.982 1.426 . . . . 1.0 109.318 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.485 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 8.3 m0 -93.21 141.95 27.85 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.009 1.443 . . . . 1.0 109.27 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 41.5 p -121.62 145.99 47.44 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.038 1.461 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.572 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -85.6 146.08 27.04 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.983 1.427 . . . . 1.0 109.268 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.659 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -72.24 -44.68 10.62 Favored Pre-proline 0 C--O 1.24 0.557 0 O-C-N 124.965 1.416 . . . . 1.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.3 Cg_endo -75.03 5.06 4.22 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.454 2.769 . . . . 1.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.99 -42.88 3.31 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.008 1.443 . . . . 1.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 86' ' ' MET . 34.7 t -64.53 -56.4 14.32 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.966 1.416 . . . . 1.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' OE1' ' OD1' ' A' ' 80' ' ' ASP . 7.7 pt-20 -57.79 -31.96 67.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.976 1.423 . . . . 1.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.504 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 5.9 m-20 -59.71 -52.7 64.38 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.997 1.436 . . . . 1.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 83' ' ' SER . 0.1 OUTLIER -69.39 -4.32 17.91 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.975 1.422 . . . . 1.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.53 -35.71 27.03 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.991 1.432 . . . . 1.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -94.92 -67.74 0.84 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.058 1.474 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 85' ' ' ASP . 3.1 p30 -69.06 -45.64 69.85 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.016 1.448 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.92 -16.33 51.87 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 t -93.22 -56.61 2.89 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.007 1.063 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.18 -63.18 1.28 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.973 1.421 . . . . 1.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.396 0 O-C-N 124.959 1.412 . . . . 1.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.622 0 CA-C-O 118.387 -0.816 . . . . 1.0 109.302 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.53 HG11 ' CE2' ' A' ' 40' ' ' TYR . 10.7 t 72.09 48.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.992 1.432 . . . . 1.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.548 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.8 OUTLIER -89.44 -61.22 0.23 Allowed Pre-proline 0 C--O 1.24 0.557 0 O-C-N 124.961 1.413 . . . . 1.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -74.99 175.61 11.0 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.532 2.821 . . . . 1.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.28 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.493 2.796 . . . . 1.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.88 147.04 41.88 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.041 1.463 . . . . 1.0 109.309 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.4 96.69 4.5 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.016 1.447 . . . . 1.0 109.337 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.494 ' CE1' HG23 ' A' ' 51' ' ' ILE . 47.1 m-85 -64.64 -42.93 95.11 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.993 1.433 . . . . 1.0 109.265 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.3 pt -49.23 -38.63 11.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.986 1.429 . . . . 1.0 109.294 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.96 -26.7 39.91 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -50.16 12.29 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.03 1.456 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.7 mp -53.94 -54.45 20.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.966 1.416 . . . . 1.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.2 p -44.44 -35.04 2.25 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.038 1.461 . . . . 1.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.419 ' HA ' HD21 ' A' ' 17' ' ' LEU . 3.4 tmm? -82.4 -30.07 30.44 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.019 1.45 . . . . 1.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -76.51 -33.34 58.63 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.033 1.458 . . . . 1.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 12' ' ' ILE . 48.4 mm -64.24 -45.56 95.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.006 1.441 . . . . 1.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -59.88 -29.49 68.35 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 1.0 109.27 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 28.3 mm-40 -42.35 -34.43 0.8 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.025 1.453 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 23' ' ' LYS . 14.7 m -109.77 101.17 45.77 Favored Pre-proline 0 C--O 1.24 0.59 0 O-C-N 125.009 1.443 . . . . 1.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 12.52 1.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.485 2.79 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.567 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.7 mt-30 -118.89 -85.83 0.65 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.974 1.421 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 3.9 ttpp 174.64 41.1 0.0 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.984 1.427 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' O ' ' OG ' ' A' ' 19' ' ' SER . 4.8 mtmm -140.94 106.82 5.14 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.98 1.425 . . . . 1.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 2.2 mt -115.97 121.09 41.24 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.039 1.462 . . . . 1.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 75' ' ' ASN . 25.8 p -102.05 105.91 16.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.998 1.436 . . . . 1.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.467 HD13 ' CH2' ' A' ' 77' ' ' TRP . 3.8 tt -42.86 -35.52 1.21 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.016 1.447 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.9 p -58.58 -48.78 79.78 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.443 . . . . 1.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -16.21 80.89 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 6.1 mm -79.31 -54.1 12.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 125.014 1.067 . . . . 1.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.5 p -55.59 -41.36 73.28 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.023 1.452 . . . . 1.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -74.0 -27.48 60.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.016 1.448 . . . . 1.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -66.12 -38.94 89.4 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.962 1.413 . . . . 1.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.553 HG21 ' CD1' ' A' ' 37' ' ' PHE . 2.8 mt -70.19 -57.03 9.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB2' ' CD ' ' A' ' 41' ' ' ARG . 92.2 p -44.39 -29.49 0.69 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.982 1.426 . . . . 1.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 76.1 m-20 -61.14 -44.29 97.56 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.007 1.442 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.581 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 31.5 mmt-85 -78.68 -40.8 32.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.039 1.462 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -130.26 81.21 68.97 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 125.017 1.448 . . . . 1.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -25.79 11.48 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.492 2.795 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.51 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 33.3 p90 -81.74 -15.42 54.39 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.991 1.432 . . . . 1.0 109.33 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CE2' HG11 ' A' ' 2' ' ' VAL . 1.4 t80 -80.81 -50.95 9.18 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.454 ' CD ' ' HB2' ' A' ' 34' ' ' SER . 0.0 OUTLIER -57.26 -35.27 69.54 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.985 1.428 . . . . 1.0 109.332 -179.573 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.498 ' CG ' ' HA ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -84.1 -6.79 59.46 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 4.6 mmtp -114.78 11.04 16.67 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.959 1.412 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.826 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.9 t80 179.43 68.16 0.13 Allowed Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.998 1.436 . . . . 1.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.36 20.36 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.492 2.795 . . . . 1.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.59 -15.4 63.52 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.826 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -84.24 4.88 28.83 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.986 1.429 . . . . 1.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.412 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -56.38 -47.97 77.83 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.987 1.43 . . . . 1.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -82.28 -25.31 34.15 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.954 1.409 . . . . 1.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.526 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 8.3 t -56.6 -50.87 70.7 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.494 HG23 ' CE1' ' A' ' 8' ' ' TYR . 29.1 pt -57.74 -40.84 77.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.93 1.394 . . . . 1.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' ILE . 12.0 ttm180 -60.02 -47.66 84.92 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.036 1.46 . . . . 1.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -53.91 -52.14 61.5 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 1.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 3.1 t-20 -69.7 -26.36 64.32 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.971 1.419 . . . . 1.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.598 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -55.02 -53.67 52.89 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 1.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 3.0 t -79.05 -24.95 43.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.017 1.448 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -83.59 21.39 1.23 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.013 1.445 . . . . 1.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 2.8 m-80 -112.26 -85.54 0.57 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.058 1.474 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.663 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -84.64 -22.66 29.82 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.006 1.442 . . . . 1.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 1.4 m 74.87 41.76 0.3 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.963 1.414 . . . . 1.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.663 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -77.43 -176.99 4.45 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.068 1.48 . . . . 1.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.4 HG13 ' OG1' ' A' ' 78' ' ' THR . 0.7 OUTLIER -108.96 127.03 65.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.949 1.406 . . . . 1.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -113.99 150.5 33.76 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.003 1.439 . . . . 1.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.484 HD11 ' HB2' ' A' ' 67' ' ' GLU . 1.8 pp -99.68 106.03 37.68 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 124.974 1.421 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.508 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -4.69 15.77 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.494 2.796 . . . . 1.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 17.3 ttt180 170.6 85.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.967 1.417 . . . . 1.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HB2' HD11 ' A' ' 64' ' ' ILE . 2.9 tp10 -83.32 134.82 44.93 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.001 1.438 . . . . 1.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' OE1' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -75.01 56.63 4.32 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.49 2.793 . . . . 1.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.543 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 129.5 74.94 0.16 Allowed Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.319 -1.512 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.65 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 7.8 t30 -128.15 58.34 33.23 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 124.953 1.031 . . . . 1.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.5 Cg_endo -74.98 59.85 5.28 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.564 2.843 . . . . 1.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.1 -92.93 2.27 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.92 -48.42 0.28 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.039 1.082 . . . . 1.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.492 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -139.49 -109.93 0.87 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 25' ' ' THR . 1.3 m120 -115.64 -161.57 0.79 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.991 1.053 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.619 ' CE2' ' OD1' ' A' ' 70' ' ' ASN . 25.9 m-85 -142.45 103.69 4.29 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.974 1.421 . . . . 1.0 109.28 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.562 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 8.3 m95 -105.76 115.26 29.93 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.043 1.464 . . . . 1.0 109.265 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.553 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 72.7 p -117.52 142.55 47.03 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.011 1.444 . . . . 1.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 2.5 mp -70.93 124.83 25.26 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.024 1.452 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.526 ' CB ' ' HD3' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -84.51 -53.59 0.5 Allowed Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.959 1.412 . . . . 1.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.526 ' HD3' ' CB ' ' A' ' 80' ' ' ASP . 18.4 Cg_endo -74.91 108.74 2.78 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.537 2.825 . . . . 1.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 76.42 46.34 0.09 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.027 1.454 . . . . 1.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -76.96 -43.82 33.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 83' ' ' SER . 6.6 tt0 92.89 -21.79 0.08 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.948 1.405 . . . . 1.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 89' ' ' ASN . 8.1 t70 -80.09 -53.82 6.34 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.992 1.433 . . . . 1.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 tpp -49.44 -33.62 14.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.039 1.462 . . . . 1.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -54.47 -41.39 69.46 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.83 53.53 1.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.039 1.462 . . . . 1.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.6 p30 -59.4 -46.42 88.73 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.041 1.463 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.447 ' HA3' ' CD2' ' A' ' 93' ' ' LEU . . . -80.06 -56.04 3.37 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.286 -1.526 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 t 74.47 58.31 0.08 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.024 1.073 . . . . 1.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 93' ' ' LEU . 23.5 t80 72.68 65.85 0.12 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.994 1.434 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' CD2' ' HA3' ' A' ' 90' ' ' GLY . 4.5 mm? . . . . . 0 C--N 1.345 0.403 0 O-C-N 125.007 1.442 . . . . 1.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 C--O 1.24 0.579 0 CA-C-O 118.371 -0.823 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.541 HG22 ' CE2' ' A' ' 39' ' ' TYR . 21.6 m -103.56 -28.66 2.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.991 1.432 . . . . 1.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.667 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 3.7 ttmt 177.69 -55.94 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.548 0 O-C-N 124.994 1.434 . . . . 1.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.667 ' HD3' ' HB3' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.07 158.95 41.66 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.516 2.811 . . . . 1.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 58.8 4.98 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.494 2.796 . . . . 1.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -85.05 162.26 19.4 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.974 1.421 . . . . 1.0 109.322 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.01 163.98 27.2 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.984 1.428 . . . . 1.0 109.299 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -80.59 -58.82 2.93 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 1.0 109.273 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -45.26 -38.83 2.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.004 1.44 . . . . 1.0 109.32 -179.528 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -66.45 -37.66 85.63 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.977 1.423 . . . . 1.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 1.8 mm? -73.86 -47.18 40.08 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.433 . . . . 1.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.8 mp -60.69 -40.97 86.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.983 1.427 . . . . 1.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -42.13 -44.61 3.72 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.945 1.403 . . . . 1.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.1 ttp -82.03 -30.21 31.57 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -60.39 -38.97 85.63 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.984 1.428 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.491 HD12 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -78.68 -45.16 25.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.994 1.434 . . . . 1.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.44 -30.56 5.22 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.96 1.413 . . . . 1.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -45.94 -29.07 1.28 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.05 1.469 . . . . 1.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.435 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 89.3 p -114.56 87.62 14.54 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.71 8.58 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.502 2.802 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -87.56 0.49 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.422 . . . . 1.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.82 39.28 0.0 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.037 1.46 . . . . 1.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 8.3 tttt -139.91 111.91 7.52 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.956 1.41 . . . . 1.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -122.66 137.68 54.83 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 81.3 p -123.66 105.47 9.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 2.9 tm? -47.53 -39.74 17.03 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.014 1.446 . . . . 1.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.7 p -62.14 -40.92 97.58 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 1.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.43 -20.92 65.57 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.257 -1.537 . . . . 1.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 29' ' ' ILE . 11.4 mm -77.28 -51.8 17.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 124.954 1.032 . . . . 1.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.7 p -57.8 -36.97 72.94 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.012 1.445 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.05 -34.0 70.82 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.01 1.444 . . . . 1.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.62 -51.91 65.45 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.004 1.44 . . . . 1.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.536 HG13 ' CE2' ' A' ' 32' ' ' PHE . 2.4 mt -60.37 -29.64 44.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.964 1.415 . . . . 1.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 p -71.24 -35.44 71.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.004 1.44 . . . . 1.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.28 -40.9 25.98 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.928 1.393 . . . . 1.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.531 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 3.6 tpt180 -75.88 -52.07 11.13 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.976 1.423 . . . . 1.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -119.03 80.19 18.43 Favored Pre-proline 0 C--O 1.24 0.591 0 O-C-N 125.021 1.451 . . . . 1.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.0 -34.46 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.526 2.817 . . . . 1.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.541 ' CE2' HG22 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -76.8 -16.47 59.44 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.051 1.469 . . . . 1.0 109.317 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.673 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -75.88 -51.63 12.08 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.023 1.452 . . . . 1.0 109.292 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.433 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -77.29 -35.79 54.76 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.942 1.401 . . . . 1.0 109.297 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 1.7 tt0 -58.7 -21.0 53.57 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 1.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -106.76 -29.21 9.69 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.004 1.44 . . . . 1.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.725 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -134.53 70.0 72.4 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.99 1.432 . . . . 1.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.25 20.69 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.514 2.809 . . . . 1.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.86 -24.94 33.02 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 1.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -74.06 -7.73 53.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.001 1.438 . . . . 1.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.2 -34.56 32.34 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.009 1.443 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -83.88 -35.16 24.33 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.024 1.452 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -52.54 65.3 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.963 1.414 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -48.22 -39.19 8.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.985 1.428 . . . . 1.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -66.67 -39.93 88.38 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.952 1.407 . . . . 1.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -62.56 -54.82 33.99 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.055 1.472 . . . . 1.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 35.6 t-20 -63.4 -31.95 73.24 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.99 1.431 . . . . 1.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.579 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 45.8 tp -56.56 -54.08 50.1 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.991 1.432 . . . . 1.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.549 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.3 t -74.5 -26.02 59.74 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.995 1.435 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.53 13.87 6.32 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.964 1.415 . . . . 1.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.457 ' OD1' ' OD2' ' A' ' 59' ' ' ASP . 15.5 t-20 -101.16 -84.18 0.44 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.975 1.422 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.59 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 16.3 m-20 -80.25 -20.84 43.59 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.001 1.438 . . . . 1.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 1.5 m 73.41 35.46 0.89 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.944 1.403 . . . . 1.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.72 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -72.76 -173.79 1.28 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.44 155.24 9.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.002 1.439 . . . . 1.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.571 ' CB ' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.8 160.37 31.08 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.984 1.427 . . . . 1.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.573 ' CD1' ' CD2' ' A' ' 76' ' ' TYR . 18.5 mt -97.18 107.86 40.7 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.969 1.418 . . . . 1.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.02 -21.74 15.5 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.48 2.787 . . . . 1.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER 174.53 77.2 0.0 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.029 1.456 . . . . 1.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 68' ' ' PRO . 5.3 tp10 -68.13 138.58 92.26 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.956 1.41 . . . . 1.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.43 ' N ' ' HG3' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -74.94 72.0 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.558 2.839 . . . . 1.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.13 -42.88 0.1 OUTLIER Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.271 -1.532 . . . . 1.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -72.12 123.49 89.55 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.981 1.048 . . . . 1.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.67 17.59 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.504 2.803 . . . . 1.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.65 75.22 0.08 OUTLIER Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.265 -1.534 . . . . 1.0 109.265 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -132.64 -70.39 0.55 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.006 1.062 . . . . 1.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.55 -155.73 6.54 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.503 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.5 OUTLIER -138.72 -175.21 4.06 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.041 . . . . 1.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.573 ' CD2' ' CD1' ' A' ' 64' ' ' ILE . 5.5 m-85 -132.76 83.73 2.09 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.964 1.415 . . . . 1.0 109.312 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.571 ' CE2' ' CB ' ' A' ' 63' ' ' LYS . 9.2 m0 -80.72 135.44 36.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.99 1.431 . . . . 1.0 109.298 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.555 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 45.6 p -107.56 -150.34 0.45 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.994 1.433 . . . . 1.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.72 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -144.12 108.19 4.75 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.943 1.402 . . . . 1.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 1.4 p30 -121.76 114.39 31.25 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 124.984 1.427 . . . . 1.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.48 15.8 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.555 2.837 . . . . 1.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 83' ' ' SER . 17.5 pt20 -53.8 -45.57 70.81 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.966 1.416 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 60' ' ' CYS . 37.8 m -59.75 -50.87 72.13 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.941 1.401 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -56.15 -42.49 77.06 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.039 1.462 . . . . 1.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.74 25.13 0.95 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.026 1.454 . . . . 1.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.506 ' HG3' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -39.99 -35.85 0.41 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.962 1.414 . . . . 1.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.506 ' CE1' ' HG3' ' A' ' 86' ' ' MET . 0.7 OUTLIER 174.52 68.71 0.0 OUTLIER 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.96 1.413 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER 79.96 -0.96 2.08 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.935 1.397 . . . . 1.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -81.05 -5.05 57.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . -80.13 -69.25 1.41 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.64 74.09 0.0 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.987 1.051 . . . . 1.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -58.68 3.14 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.968 1.417 . . . . 1.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.345 0.376 0 O-C-N 124.965 1.415 . . . . 1.0 109.227 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mmm . . . . . 0 C--O 1.24 0.576 0 CA-C-O 118.381 -0.819 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.442 HG12 ' CB ' ' A' ' 39' ' ' TYR . 12.8 p -175.38 -42.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.044 1.465 . . . . 1.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.45 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -34.52 -56.76 0.78 Allowed Pre-proline 0 C--O 1.24 0.566 0 O-C-N 124.986 1.429 . . . . 1.0 109.319 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -74.97 114.1 3.95 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.552 2.835 . . . . 1.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.11 2.41 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.45 2.766 . . . . 1.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' CD1' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -118.03 -171.02 1.99 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.017 1.448 . . . . 1.0 109.304 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 1.5 m -110.08 170.54 8.01 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.982 1.426 . . . . 1.0 109.3 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.601 ' CG ' ' ND2' ' A' ' 54' ' ' ASN . 88.1 m-85 -58.36 -40.47 82.3 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.983 1.427 . . . . 1.0 109.298 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -54.12 -35.27 28.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.968 1.417 . . . . 1.0 109.279 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 6' ' ' TYR . . . -68.49 -36.65 79.23 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.986 1.429 . . . . 1.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.535 HD13 ' CE2' ' A' ' 37' ' ' PHE . 3.3 mm? -71.35 -44.24 65.43 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.033 1.458 . . . . 1.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' ALA . 40.5 mm -62.29 -51.49 71.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 124.993 1.433 . . . . 1.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 2.6 m -40.17 -42.18 1.42 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.951 1.407 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.474 ' CE ' ' HG3' ' A' ' 36' ' ' ARG . 7.8 ttp -80.01 -36.49 35.84 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.974 1.422 . . . . 1.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . . . -64.06 -59.14 4.83 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.035 1.459 . . . . 1.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 ' CD2' ' A' ' 24' ' ' LEU . 8.6 tp -53.84 -38.49 36.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.553 0 O-C-N 124.989 1.431 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 13' ' ' THR . 1.9 mp -61.96 -39.75 93.21 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.035 1.459 . . . . 1.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -49.66 -25.18 2.66 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 1.0 109.251 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.445 ' OG ' HD11 ' A' ' 24' ' ' LEU . 30.2 m -115.21 83.4 10.09 Favored Pre-proline 0 C--O 1.24 0.592 0 O-C-N 124.961 1.413 . . . . 1.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 12.63 1.18 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.528 2.819 . . . . 1.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -109.34 -79.34 0.58 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.989 1.431 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 3.0 pttt 163.49 48.61 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.024 1.453 . . . . 1.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -143.3 107.88 4.84 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.001 1.438 . . . . 1.0 109.286 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.518 ' CD2' HD13 ' A' ' 16' ' ' ILE . 2.7 mm? -126.18 101.88 6.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.984 1.427 . . . . 1.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 29.0 p -85.46 108.13 17.74 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.003 1.439 . . . . 1.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.504 HD13 ' CH2' ' A' ' 77' ' ' TRP . 7.4 tt -42.1 -33.12 0.54 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.02 1.45 . . . . 1.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 m -64.68 -44.45 90.3 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 1.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.26 -20.65 74.85 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.301 -1.519 . . . . 1.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.18 -51.97 64.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.989 1.052 . . . . 1.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.7 t -64.88 -47.73 76.8 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.997 1.436 . . . . 1.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 2.2 pt-20 -65.21 -29.97 70.82 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.041 1.463 . . . . 1.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 15' ' ' ALA . 2.1 t80 -62.21 -50.03 73.39 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.982 1.427 . . . . 1.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.484 ' CD1' HG12 ' A' ' 51' ' ' ILE . 1.3 mt -63.51 -16.69 18.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.989 1.43 . . . . 1.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -41.13 18.24 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.967 1.417 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.522 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -85.68 16.69 3.77 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.015 1.447 . . . . 1.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HG3' ' CE ' ' A' ' 14' ' ' MET . 11.9 mmt-85 -141.35 -47.49 0.39 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.014 1.446 . . . . 1.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.535 ' CE2' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -129.64 74.09 81.03 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 124.97 1.419 . . . . 1.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -34.79 3.66 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.523 2.815 . . . . 1.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.442 ' CB ' HG12 ' A' ' 2' ' ' VAL . 15.3 m-85 -55.1 -29.41 57.58 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.941 1.401 . . . . 1.0 109.272 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.468 ' CE2' ' CE1' ' A' ' 6' ' ' TYR . 4.5 m-85 -79.45 -52.2 8.36 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.022 1.451 . . . . 1.0 109.341 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -53.86 -46.55 71.32 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.038 1.461 . . . . 1.0 109.309 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -29.59 69.86 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -43.79 13.37 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.44 . . . . 1.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.3 t80 -146.0 88.79 6.25 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.973 1.421 . . . . 1.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 11.56 1.4 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.492 2.795 . . . . 1.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -85.87 26.95 0.92 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.968 1.417 . . . . 1.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 96.8 m95 -68.19 -56.23 9.48 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.946 1.404 . . . . 1.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 3.4 tm0? -40.75 -28.16 0.07 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.963 1.415 . . . . 1.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -80.43 -49.36 11.54 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.991 1.432 . . . . 1.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.456 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 27.9 m -82.07 -64.48 1.17 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.966 1.416 . . . . 1.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.566 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.5 tp -39.78 -38.7 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.986 1.429 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 29.8 ttt-85 -60.05 -50.12 74.96 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.066 1.479 . . . . 1.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.454 ' C ' HD21 ' A' ' 57' ' ' LEU . 10.1 m-70 -70.66 -54.83 10.4 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.011 1.444 . . . . 1.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.601 ' ND2' ' CG ' ' A' ' 8' ' ' TYR . 62.3 m-80 -53.81 -44.89 70.58 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.969 1.418 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.698 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 10.6 tp -54.09 -52.65 60.3 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.969 1.418 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.4 p -68.65 -40.32 80.27 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.031 1.457 . . . . 1.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -88.39 25.47 1.66 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.031 1.457 . . . . 1.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.514 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 9.4 t-20 -106.45 -85.22 0.5 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.437 . . . . 1.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 75.5 m-20 -82.06 -26.75 33.42 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.991 1.432 . . . . 1.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 63.4 m 80.81 40.47 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.02 1.45 . . . . 1.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -77.26 -173.87 3.01 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.058 1.474 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 70.9 t -106.85 140.94 23.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.972 1.42 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.641 ' CB ' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -115.71 138.06 51.48 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.995 1.434 . . . . 1.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -76.01 123.36 88.11 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.953 1.408 . . . . 1.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 45.37 1.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.466 2.778 . . . . 1.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 58.21 70.78 0.62 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.985 1.428 . . . . 1.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.15 141.64 77.97 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 125.016 1.448 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.27 3.58 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.47 2.78 . . . . 1.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.9 46.6 0.06 OUTLIER Glycine 0 C--N 1.346 1.085 0 N-CA-C 109.248 -1.541 . . . . 1.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.615 ' OD1' ' CZ ' ' A' ' 76' ' ' TYR . 19.3 t30 -138.31 58.56 15.12 Favored Pre-proline 0 C--O 1.24 0.564 0 O-C-N 124.992 1.054 . . . . 1.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.98 65.23 6.05 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.539 2.826 . . . . 1.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.53 -91.16 1.72 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.25 -50.15 0.33 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.009 1.064 . . . . 1.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.485 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -140.29 -110.21 0.85 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.49 ' O ' ' CG2' ' A' ' 25' ' ' THR . 58.8 m-80 -123.98 -172.0 2.44 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.027 1.075 . . . . 1.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CZ ' ' OD1' ' A' ' 70' ' ' ASN . 20.5 m-85 -127.77 75.4 1.6 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.956 1.41 . . . . 1.0 109.285 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.641 ' CE2' ' CB ' ' A' ' 63' ' ' LYS . 11.3 m0 -74.45 130.56 39.86 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.99 1.432 . . . . 1.0 109.302 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.577 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -140.47 150.32 43.64 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 1.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.547 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -62.56 135.89 57.62 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.019 1.449 . . . . 1.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -75.24 154.44 86.24 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 125.001 1.438 . . . . 1.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 52.7 3.14 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.491 2.794 . . . . 1.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 64.75 42.5 4.57 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.015 1.447 . . . . 1.0 109.345 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.59 -40.38 42.39 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.954 1.409 . . . . 1.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.99 34.43 3.71 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.022 1.451 . . . . 1.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.24 -40.0 38.59 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.0 1.437 . . . . 1.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -31.22 52.87 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.051 1.469 . . . . 1.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -96.03 27.09 3.78 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.965 1.415 . . . . 1.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 164.2 65.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -77.1 -55.63 5.28 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.28 -65.81 2.1 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p -167.89 -57.54 0.02 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.021 1.071 . . . . 1.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -109.27 -58.38 2.04 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.953 1.408 . . . . 1.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.445 0 O-C-N 124.983 1.427 . . . . 1.0 109.267 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' HE3' ' CG1' ' A' ' 2' ' ' VAL . 11.3 ptm . . . . . 0 C--O 1.24 0.556 0 CA-C-O 118.431 -0.795 . . . . 1.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.538 HG23 ' CD1' ' A' ' 39' ' ' TYR . 10.7 p 42.64 42.18 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.975 1.422 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.594 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 0.6 OUTLIER -135.56 55.53 13.02 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.952 1.408 . . . . 1.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.594 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -75.05 176.5 9.85 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.514 2.809 . . . . 1.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.5 Cg_endo -74.92 117.88 5.08 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.512 2.808 . . . . 1.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.737 ' CE2' ' CD2' ' A' ' 40' ' ' TYR . 50.9 m-85 -100.4 156.0 17.5 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.996 1.435 . . . . 1.0 109.335 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 1.9 p -141.79 139.3 32.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.958 1.411 . . . . 1.0 109.231 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ3' ' A' ' 47' ' ' TRP . 20.0 m-85 -85.45 -79.29 0.24 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.994 1.434 . . . . 1.0 109.288 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.536 HG12 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -39.7 -45.83 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.954 1.409 . . . . 1.0 109.302 -179.561 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -58.51 -46.2 87.22 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.99 1.431 . . . . 1.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 8' ' ' TYR . 11.7 mt -60.09 -40.65 90.34 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.048 1.468 . . . . 1.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.499 HD13 ' CD1' ' A' ' 55' ' ' LEU . 40.3 mm -72.15 -44.25 65.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 125.027 1.455 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -52.28 -42.5 63.77 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.945 1.403 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.485 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 4.9 ptm -81.9 -17.86 45.72 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.961 1.413 . . . . 1.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -81.66 -48.73 11.34 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 12' ' ' ILE . 4.8 mm -56.29 -54.51 26.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.944 1.403 . . . . 1.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 1.1 pp -56.58 -30.67 63.45 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.971 1.42 . . . . 1.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -55.54 -22.57 22.17 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.001 1.438 . . . . 1.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.8 p -117.72 82.72 16.73 Favored Pre-proline 0 C--O 1.239 0.546 0 O-C-N 124.984 1.427 . . . . 1.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 10.01 1.87 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.524 2.816 . . . . 1.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -96.47 -85.35 0.34 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.032 1.458 . . . . 1.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 0.7 OUTLIER 163.3 44.68 0.0 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.941 1.401 . . . . 1.0 109.352 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.69 111.58 6.4 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.436 . . . . 1.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 2.6 mm? -111.49 87.93 2.67 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.002 1.439 . . . . 1.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 3.0 m -89.79 103.32 15.98 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.984 1.428 . . . . 1.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -43.06 -34.37 1.02 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.981 1.426 . . . . 1.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.432 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 3.6 m -53.47 -46.7 70.03 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.012 1.445 . . . . 1.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 32' ' ' PHE . . . -77.92 -17.74 78.05 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.8 mm -76.81 -52.24 17.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.975 1.044 . . . . 1.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.0 p -56.92 -45.19 82.85 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.004 1.44 . . . . 1.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.7 -23.8 59.85 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.991 1.432 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 8.6 t80 -72.64 -44.9 61.3 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.968 1.418 . . . . 1.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.403 HD11 ' CD2' ' A' ' 32' ' ' PHE . 35.3 mm -62.9 -48.69 86.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.001 1.438 . . . . 1.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -72.61 -18.87 61.55 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 125.015 1.447 . . . . 1.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.18 -39.33 82.18 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.032 1.458 . . . . 1.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -90.92 -39.34 12.33 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.994 1.433 . . . . 1.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CD2' ' CE2' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -123.13 84.88 51.31 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.992 1.432 . . . . 1.0 109.358 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -28.07 9.58 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.51 2.807 . . . . 1.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.538 ' CD1' HG23 ' A' ' 2' ' ' VAL . 1.7 t80 -71.71 -31.83 67.14 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.933 1.396 . . . . 1.0 109.262 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.737 ' CD2' ' CE2' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -65.91 -42.48 90.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.055 1.472 . . . . 1.0 109.326 -179.345 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -64.45 -33.04 74.95 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.986 1.429 . . . . 1.0 109.257 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -33.05 74.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.961 1.413 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -84.04 -32.87 24.63 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 1.2 t80 -150.91 90.72 4.12 Favored Pre-proline 0 C--O 1.239 0.509 0 O-C-N 124.959 1.412 . . . . 1.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 8.63 2.34 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.488 2.792 . . . . 1.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.602 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . . . -83.62 19.7 1.57 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.996 1.435 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.486 ' CZ3' ' CZ ' ' A' ' 8' ' ' TYR . 58.1 m95 -75.88 -3.58 36.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.966 1.416 . . . . 1.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 10.4 tt0 -86.14 -46.89 10.0 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.026 1.454 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.453 ' HA ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -87.84 -40.09 14.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.002 1.439 . . . . 1.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.6 m -56.58 -67.51 0.3 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.964 1.415 . . . . 1.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -58.93 -24.34 26.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.957 1.411 . . . . 1.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -56.34 -43.18 78.8 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.969 1.418 . . . . 1.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.511 ' CE1' HD23 ' A' ' 57' ' ' LEU . 9.0 t60 -72.47 -51.15 21.41 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.037 1.461 . . . . 1.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.582 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 4.9 m120 -69.33 -7.1 34.15 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.961 1.413 . . . . 1.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.536 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 5.5 tp -85.58 -46.32 10.92 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.982 1.426 . . . . 1.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.604 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 40.1 t -79.82 -46.65 16.53 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.027 1.455 . . . . 1.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.582 ' CD2' ' HA ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -57.91 -23.17 52.19 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.421 . . . . 1.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.516 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 28.2 t-20 -76.3 -67.21 0.71 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.02 1.45 . . . . 1.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.8 OUTLIER -81.34 -57.27 3.56 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.977 1.423 . . . . 1.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 99.87 25.07 0.0 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.435 . . . . 1.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -68.14 178.15 1.98 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.98 1.425 . . . . 1.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.654 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 4.9 m -100.82 137.96 26.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.95 1.407 . . . . 1.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.593 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -118.04 125.24 49.96 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.051 1.469 . . . . 1.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.486 ' O ' HG13 ' A' ' 64' ' ' ILE . 21.9 pt -77.76 117.29 64.81 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.998 1.436 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 62.11 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.561 2.841 . . . . 1.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 0.6 OUTLIER 64.75 75.43 0.37 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.005 1.441 . . . . 1.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' OE2' ' HB ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -76.17 146.81 78.98 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.957 1.411 . . . . 1.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.83 3.76 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.561 2.841 . . . . 1.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.519 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 169.0 55.6 0.03 OUTLIER Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.329 -1.508 . . . . 1.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.668 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -131.75 51.58 7.66 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 124.984 1.05 . . . . 1.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.2 Cg_endo -75.04 62.79 5.96 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.49 2.793 . . . . 1.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.58 -88.02 0.76 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.279 -1.528 . . . . 1.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.42 -53.01 0.45 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.974 1.044 . . . . 1.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.09 -120.36 1.66 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.614 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 39.7 m-80 -116.86 -171.07 1.95 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.055 1.091 . . . . 1.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 10.8 m-85 -145.0 118.48 9.07 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.015 1.447 . . . . 1.0 109.254 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.654 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.8 m0 -104.16 134.82 46.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.977 1.423 . . . . 1.0 109.279 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.61 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 6.3 p -124.42 146.6 48.8 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.983 1.427 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 6.7 mp -65.23 139.98 58.69 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.958 1.411 . . . . 1.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.513 ' OD1' ' CG1' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -83.97 154.25 64.06 Favored Pre-proline 0 C--O 1.24 0.573 0 O-C-N 124.978 1.424 . . . . 1.0 109.326 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.13 3.54 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.527 2.818 . . . . 1.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 64.75 43.58 4.08 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.973 1.421 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.462 ' CB ' ' OD2' ' A' ' 80' ' ' ASP . 28.9 t -80.21 -39.69 28.64 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.968 1.418 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.528 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 9.2 mm-40 -111.12 34.91 3.78 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.013 1.446 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -79.93 -50.16 10.85 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.02 1.45 . . . . 1.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -61.51 -54.28 45.33 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.965 1.416 . . . . 1.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.528 ' CE2' ' O ' ' A' ' 84' ' ' GLU . 3.9 m-85 65.09 67.68 0.52 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.995 1.435 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER 67.35 69.1 0.38 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.021 1.451 . . . . 1.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -81.59 -44.95 16.55 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.006 1.441 . . . . 1.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.04 -63.64 3.71 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.4 p -64.44 -60.98 2.51 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.014 1.067 . . . . 1.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 60.7 t80 60.3 54.22 4.04 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.966 1.416 . . . . 1.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.345 0.397 0 O-C-N 124.966 1.416 . . . . 1.0 109.294 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.582 0 CA-C-O 118.403 -0.808 . . . . 1.0 109.308 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.528 HG23 ' CD1' ' A' ' 39' ' ' TYR . 27.3 m -146.07 36.75 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.983 1.427 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -64.69 -51.96 54.7 Favored Pre-proline 0 C--O 1.241 0.607 0 O-C-N 125.01 1.443 . . . . 1.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.06 123.0 7.52 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.482 2.788 . . . . 1.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.62 34.35 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.497 2.798 . . . . 1.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.75 ' CZ ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -128.48 -167.85 1.83 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.032 1.458 . . . . 1.0 109.31 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.11 -173.17 2.35 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.978 1.424 . . . . 1.0 109.34 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.433 ' OH ' ' HB2' ' A' ' 50' ' ' SER . 0.8 OUTLIER -83.16 -74.78 0.35 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.022 1.452 . . . . 1.0 109.297 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 58' ' ' ASN . 1.5 tp -59.94 -30.18 44.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.989 1.43 . . . . 1.0 109.295 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.22 -33.62 58.73 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.002 1.439 . . . . 1.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -80.84 -31.44 35.48 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.933 1.396 . . . . 1.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -62.43 -56.51 17.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 124.965 1.416 . . . . 1.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.9 p -43.22 -37.11 2.0 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.7 mtm -65.09 -41.81 94.65 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.04 1.462 . . . . 1.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -55.75 -30.35 61.08 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.424 . . . . 1.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.495 HD12 ' CE2' ' A' ' 61' ' ' PHE . 30.8 mm -80.2 -43.17 22.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.959 1.412 . . . . 1.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.94 -42.82 72.77 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.979 1.424 . . . . 1.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -50.94 -23.51 2.93 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.917 1.385 . . . . 1.0 109.233 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 m -113.56 89.33 15.17 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.973 1.421 . . . . 1.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 2.04 7.09 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.526 2.817 . . . . 1.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 47.0 tt0 -110.21 -80.14 0.58 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.0 1.438 . . . . 1.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 166.36 48.44 0.0 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.977 1.423 . . . . 1.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -134.55 93.91 3.12 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.012 1.445 . . . . 1.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 3.8 mm? -110.24 117.77 34.56 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.046 1.466 . . . . 1.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 75' ' ' ASN . 33.8 p -104.5 107.37 18.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.966 1.416 . . . . 1.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD13 ' CH2' ' A' ' 77' ' ' TRP . 10.4 tt -45.26 -36.58 4.08 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.018 1.449 . . . . 1.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 p -62.59 -45.34 93.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.051 1.469 . . . . 1.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -73.91 -35.26 54.56 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.326 -1.51 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.79 -48.05 81.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 125.01 1.065 . . . . 1.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 t -55.98 -53.08 61.26 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.976 1.422 . . . . 1.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -65.61 -33.14 75.2 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.984 1.428 . . . . 1.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.617 ' CD2' HD11 ' A' ' 33' ' ' ILE . 2.0 t80 -61.05 -41.83 97.33 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.968 1.417 . . . . 1.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.617 HD11 ' CD2' ' A' ' 32' ' ' PHE . 5.8 mm -69.01 -39.04 79.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.431 . . . . 1.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -74.94 -21.3 59.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.959 1.412 . . . . 1.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.84 -47.35 75.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.049 1.468 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -80.88 -37.88 29.02 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.067 1.479 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.75 ' CD1' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -118.85 86.2 30.12 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.95 1.406 . . . . 1.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.37 1.24 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.489 2.793 . . . . 1.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.528 ' CD1' HG23 ' A' ' 2' ' ' VAL . 8.9 m-85 -70.18 -27.73 64.75 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.017 1.448 . . . . 1.0 109.334 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -64.73 -48.82 73.2 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.98 1.425 . . . . 1.0 109.319 -179.38 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.93 -46.04 83.32 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -58.12 -24.1 57.47 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.965 1.416 . . . . 1.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -96.73 -32.36 12.2 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.032 1.458 . . . . 1.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.658 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.5 t80 -152.04 85.58 4.66 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 124.996 1.435 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 11.39 1.45 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.516 2.811 . . . . 1.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -84.97 27.28 0.78 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.958 1.411 . . . . 1.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 96.2 m95 -81.51 24.64 0.56 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.001 1.438 . . . . 1.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -81.49 -78.78 0.18 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.011 1.444 . . . . 1.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' ARG . 27.3 t-20 -82.94 -32.49 27.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.006 1.441 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.437 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 5.7 p -41.9 -26.6 0.09 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.984 1.427 . . . . 1.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -107.07 -27.24 3.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.02 1.45 . . . . 1.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -59.76 -23.97 63.68 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.995 1.435 . . . . 1.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.529 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -73.07 -56.8 4.62 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.978 1.424 . . . . 1.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.45 -28.11 60.89 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.426 . . . . 1.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.613 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 32.2 tp -58.28 -59.8 4.77 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.004 1.44 . . . . 1.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -69.86 -27.67 65.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.997 1.435 . . . . 1.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.529 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 1.2 tt -90.75 17.7 7.35 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.476 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 12.1 t30 -103.37 -89.8 0.38 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.029 1.455 . . . . 1.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 24.8 m-20 -83.18 -3.9 57.84 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.008 1.442 . . . . 1.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.577 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 13.5 p 52.0 65.78 1.4 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -95.09 178.39 5.56 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.972 1.42 . . . . 1.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -101.0 112.08 32.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.998 1.436 . . . . 1.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.68 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -85.13 146.76 26.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.983 1.427 . . . . 1.0 109.276 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 1.1 pp -115.67 82.79 10.56 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.972 1.42 . . . . 1.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 5.42 4.0 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.511 2.807 . . . . 1.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.21 91.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.993 1.433 . . . . 1.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -125.72 174.05 4.39 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 124.95 1.406 . . . . 1.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -74.99 50.61 2.57 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.522 2.815 . . . . 1.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.82 35.45 0.02 OUTLIER Glycine 0 C--N 1.346 1.091 0 N-CA-C 109.246 -1.542 . . . . 1.0 109.246 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.701 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 2.7 t-20 -84.68 -42.03 0.7 Allowed Pre-proline 0 C--O 1.24 0.569 0 O-C-N 125.02 1.071 . . . . 1.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.96 54.45 3.63 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.491 2.794 . . . . 1.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -120.32 -57.37 0.24 Allowed Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -143.8 -61.54 0.4 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.945 1.026 . . . . 1.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -143.87 -126.89 2.01 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.354 -1.498 . . . . 1.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.603 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 32.1 m-20 -128.8 -172.02 2.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.067 1.098 . . . . 1.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 16.7 m-85 -146.45 101.12 3.44 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.037 1.461 . . . . 1.0 109.303 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.68 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 5.2 m0 -98.55 130.57 45.12 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.037 1.461 . . . . 1.0 109.285 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 43.1 p -118.44 142.18 47.81 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.978 1.424 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.33 132.66 48.86 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.019 1.45 . . . . 1.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -109.32 101.02 43.89 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.989 1.431 . . . . 1.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.64 9.03 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.494 2.796 . . . . 1.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.33 -37.73 83.75 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.955 1.409 . . . . 1.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.4 p -60.68 -57.46 12.62 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.035 1.459 . . . . 1.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.69 -37.48 84.27 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.99 1.431 . . . . 1.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.22 -49.54 75.68 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.979 1.425 . . . . 1.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 mmt -62.99 -57.43 10.73 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.959 1.412 . . . . 1.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.4 t80 73.81 67.56 0.1 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.039 1.462 . . . . 1.0 109.28 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 60.62 60.51 1.92 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.977 1.423 . . . . 1.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -55.05 -48.69 73.11 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.976 1.423 . . . . 1.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.36 -68.52 1.48 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -164.5 -58.63 0.03 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.001 1.059 . . . . 1.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -154.31 57.93 0.71 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.011 1.444 . . . . 1.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 C--N 1.346 0.415 0 O-C-N 125.033 1.458 . . . . 1.0 109.28 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.586 0 CA-C-O 118.368 -0.825 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.546 ' HB ' ' CG ' ' A' ' 39' ' ' TYR . 34.7 m -151.06 -48.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.02 1.45 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.421 ' HG2' ' CD ' ' A' ' 4' ' ' PRO . 1.2 mtmt -174.03 170.83 1.66 Allowed Pre-proline 0 C--O 1.24 0.57 0 O-C-N 125.059 1.474 . . . . 1.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.421 ' CD ' ' HG2' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.01 171.71 17.8 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.503 2.802 . . . . 1.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.46 41.29 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.545 2.83 . . . . 1.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -135.64 179.96 6.01 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.995 1.434 . . . . 1.0 109.291 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -111.15 143.44 41.87 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.019 1.449 . . . . 1.0 109.293 -179.544 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.407 ' OH ' ' OG ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -80.7 -60.83 2.16 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.952 1.407 . . . . 1.0 109.267 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 10' ' ' ALA . 2.4 pp -54.67 -44.98 72.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.018 1.449 . . . . 1.0 109.292 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.454 ' HB2' ' CB ' ' A' ' 7' ' ' SER . . . -60.67 -24.13 65.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.005 1.441 . . . . 1.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' CD1' ' NH2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -77.63 -53.2 7.85 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.004 1.44 . . . . 1.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.455 HG22 ' CB ' ' A' ' 58' ' ' ASN . 1.6 mp -58.0 -47.73 85.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.029 1.456 . . . . 1.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.479 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.5 p -43.87 -34.82 1.74 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.948 1.405 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.485 ' CE ' ' NH2' ' A' ' 36' ' ' ARG . 3.0 ttp -83.22 -35.8 25.12 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.019 1.449 . . . . 1.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.63 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -55.55 -49.06 73.69 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.018 1.449 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.495 HD12 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -56.32 -42.72 74.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 1.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 13' ' ' THR . 53.1 mt -48.78 -40.27 28.33 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.029 1.456 . . . . 1.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.63 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 9.6 mm100 -45.08 -24.35 0.23 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.002 1.439 . . . . 1.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.489 ' CB ' ' HG ' ' A' ' 24' ' ' LEU . 77.3 p -111.52 90.56 12.54 Favored Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.006 1.441 . . . . 1.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 15.29 0.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.541 2.827 . . . . 1.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.426 ' H ' ' C ' ' A' ' 19' ' ' SER . 58.5 tp60 -130.7 -85.96 0.51 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.007 1.442 . . . . 1.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.34 40.8 0.0 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.985 1.428 . . . . 1.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -141.51 106.75 5.0 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.046 1.466 . . . . 1.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' HG ' ' CB ' ' A' ' 19' ' ' SER . 13.0 mt -120.57 125.03 46.77 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.009 1.443 . . . . 1.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' GLY . 18.3 p -102.8 114.07 28.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.429 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' CD2' ' HD2' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -42.73 -34.62 0.94 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.056 1.472 . . . . 1.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -66.72 -41.56 87.74 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.002 1.438 . . . . 1.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.19 -22.3 68.47 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.22 -52.28 15.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.946 1.027 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.82 -35.73 79.08 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.028 1.455 . . . . 1.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -38.38 81.78 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.975 1.422 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.481 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.92 -54.92 40.43 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.992 1.432 . . . . 1.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.481 HG13 ' CD2' ' A' ' 32' ' ' PHE . 14.1 mt -60.03 -57.96 9.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 125.021 1.451 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -53.79 -23.41 11.97 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.925 1.39 . . . . 1.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 32' ' ' PHE . 2.8 t-20 -59.38 -42.49 91.81 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.016 1.447 . . . . 1.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.517 ' NH2' ' CD1' ' A' ' 11' ' ' LEU . 1.2 ptt180 -123.23 37.01 4.51 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.014 1.446 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.462 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 5.7 m-85 -136.03 62.69 47.41 Favored Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -75.04 -65.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.454 2.769 . . . . 1.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CG ' ' HB ' ' A' ' 2' ' ' VAL . 64.3 m-85 -67.05 -17.91 65.11 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.982 1.426 . . . . 1.0 109.316 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.405 ' HB3' ' NE1' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -78.74 -48.94 13.92 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.432 . . . . 1.0 109.318 -179.333 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -38.01 84.01 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.933 1.396 . . . . 1.0 109.281 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.08 -43.38 92.38 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.929 1.393 . . . . 1.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -53.73 11.02 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.029 1.456 . . . . 1.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.56 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.0 t80 -131.71 93.11 28.92 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.984 1.427 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 2.53 6.52 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.534 2.822 . . . . 1.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.509 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -85.43 25.52 1.02 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.987 1.43 . . . . 1.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 52.8 m95 -69.45 -30.27 68.14 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.039 1.462 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -70.39 -47.75 59.39 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.983 1.427 . . . . 1.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -76.37 -53.46 8.14 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.962 1.414 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.417 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 83.0 p -47.88 -52.03 20.84 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.993 1.433 . . . . 1.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.544 ' CG1' ' O ' ' A' ' 47' ' ' TRP . 13.4 mm -66.5 -40.58 86.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 125.002 1.439 . . . . 1.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.452 ' HD2' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -47.67 -39.6 17.73 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.026 1.454 . . . . 1.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -81.63 -56.95 3.68 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.029 1.456 . . . . 1.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.528 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -53.08 -41.83 65.29 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.024 1.453 . . . . 1.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD21 ' CZ3' ' A' ' 77' ' ' TRP . 18.7 tp -53.19 -49.68 66.22 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.969 1.418 . . . . 1.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.592 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.3 t -82.59 -20.26 36.83 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.917 1.386 . . . . 1.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.0 tp -84.59 -5.55 59.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.951 1.407 . . . . 1.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.455 ' CB ' HG22 ' A' ' 12' ' ' ILE . 1.7 t-20 -96.94 -73.7 0.59 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.027 1.454 . . . . 1.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 2.9 m-20 -84.04 -39.72 19.26 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.012 1.445 . . . . 1.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 56' ' ' SER . 1.2 m 77.83 36.47 0.25 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.13 -175.91 0.37 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.002 1.439 . . . . 1.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.55 ' CG2' ' OG1' ' A' ' 78' ' ' THR . 11.7 m -105.51 121.57 57.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.977 1.423 . . . . 1.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.606 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 4.6 pttp -104.67 143.01 33.67 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.661 HD12 ' CD1' ' A' ' 76' ' ' TYR . 4.3 pt -104.14 104.78 45.77 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.0 1.438 . . . . 1.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.551 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.03 3.75 5.36 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.5 2.8 . . . . 1.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.551 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 52.6 ttt180 169.28 90.24 0.0 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.002 1.439 . . . . 1.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -71.81 145.85 89.93 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 124.952 1.408 . . . . 1.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' CD ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.04 1.51 7.68 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.507 2.805 . . . . 1.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.55 62.74 0.32 Allowed Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.285 -1.526 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -133.69 156.77 79.17 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 125.051 1.089 . . . . 1.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -27.79 9.64 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.473 2.782 . . . . 1.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.81 61.48 1.22 Allowed Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.285 -1.526 . . . . 1.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -126.2 -57.57 1.39 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.954 1.032 . . . . 1.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.32 -129.83 3.14 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.495 ' O ' ' CG2' ' A' ' 25' ' ' THR . 81.1 m-20 -155.18 178.07 10.62 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.045 1.085 . . . . 1.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.661 ' CD1' HD12 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -129.24 77.3 1.78 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.024 1.453 . . . . 1.0 109.301 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.606 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 8.0 m0 -73.33 126.52 30.31 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.026 1.454 . . . . 1.0 109.302 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.55 ' OG1' ' CG2' ' A' ' 62' ' ' VAL . 73.0 p -121.4 139.21 53.74 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.531 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -68.19 132.16 46.68 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.68 90.61 48.28 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 125.031 1.457 . . . . 1.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' ASP . 18.4 Cg_endo -74.99 -40.97 0.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.517 2.811 . . . . 1.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -26.52 37.07 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.004 1.44 . . . . 1.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -48.4 78.71 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -115.98 31.86 6.46 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.951 1.407 . . . . 1.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' PRO . 7.7 t70 -81.36 -45.75 15.68 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.433 . . . . 1.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.426 ' SD ' ' OD1' ' A' ' 89' ' ' ASN . 14.6 mmt -79.27 -73.48 0.34 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.955 1.409 . . . . 1.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 44.76 49.93 8.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.425 . . . . 1.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 173.31 -68.61 0.01 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.937 1.398 . . . . 1.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.426 ' OD1' ' SD ' ' A' ' 86' ' ' MET . 3.1 p30 -70.66 -32.94 70.4 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.987 1.43 . . . . 1.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.8 -47.09 92.21 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 109.316 -1.513 . . . . 1.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.8 -46.65 77.96 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.018 1.07 . . . . 1.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -54.72 38.03 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.973 1.421 . . . . 1.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 C--N 1.345 0.383 0 O-C-N 125.003 1.44 . . . . 1.0 109.287 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.566 0 CA-C-O 118.375 -0.821 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 39' ' ' TYR . 28.8 m -148.02 42.19 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.013 1.446 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 27.97 61.83 0.66 Allowed Pre-proline 0 C--O 1.24 0.568 0 O-C-N 125.008 1.442 . . . . 1.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -74.99 110.85 3.2 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.548 2.832 . . . . 1.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.5 Cg_endo -74.93 -24.62 12.8 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.487 2.791 . . . . 1.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.477 ' CD1' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -93.28 170.89 9.28 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.262 -179.74 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.491 ' CB ' ' CD1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -124.83 173.62 8.48 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.002 1.439 . . . . 1.0 109.267 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -56.6 -27.66 58.65 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.971 1.42 . . . . 1.0 109.318 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.491 ' CD1' ' CB ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -79.22 4.0 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.993 1.433 . . . . 1.0 109.317 -179.521 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 6' ' ' TYR . . . -118.8 -39.58 2.95 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.979 1.424 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.545 HD13 ' CE2' ' A' ' 37' ' ' PHE . 3.3 mm? -69.97 -49.15 54.6 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.961 1.413 . . . . 1.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.3 mm -69.17 -41.14 81.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.974 1.421 . . . . 1.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -48.67 -36.2 15.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.955 1.409 . . . . 1.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.474 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -83.35 -28.49 28.94 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.941 1.401 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.551 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -77.81 -40.7 39.7 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.017 1.448 . . . . 1.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 ' CE2' ' A' ' 61' ' ' PHE . 4.4 tp -61.93 -49.02 85.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.039 1.462 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 1.5 pp -63.65 -30.77 71.83 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.951 1.407 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.87 -23.45 2.82 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.018 1.449 . . . . 1.0 109.35 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.566 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 3.0 p -117.31 77.82 10.19 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 31.97 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.583 2.855 . . . . 1.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -126.03 -89.01 0.57 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.985 1.428 . . . . 1.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 173.37 40.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.048 1.468 . . . . 1.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -143.12 90.87 2.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.986 1.429 . . . . 1.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.566 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -102.64 103.41 13.69 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.035 1.459 . . . . 1.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.1 p -89.25 106.78 18.67 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.95 1.406 . . . . 1.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -50.24 -40.57 48.08 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.0 1.437 . . . . 1.0 109.235 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -43.63 98.42 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.97 1.419 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.63 -36.14 54.26 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.98 -47.6 76.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.051 . . . . 1.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' SG ' ' HG3' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -62.23 -41.07 98.08 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.042 1.464 . . . . 1.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.27 -27.13 67.7 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.356 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.488 ' CE2' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -81.61 -41.59 21.28 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.487 HG13 ' CE1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -73.28 -36.8 50.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.965 1.415 . . . . 1.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.3 p -71.06 -20.33 62.38 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.979 1.424 . . . . 1.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -79.8 -56.91 3.94 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.982 1.426 . . . . 1.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 1.7 ptp180 -74.39 -39.27 62.8 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.975 1.422 . . . . 1.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 1.8 m-85 -118.59 72.81 10.82 Favored Pre-proline 0 C--O 1.241 0.617 0 O-C-N 124.977 1.423 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HD3' ' C ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -74.98 -40.08 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.541 2.827 . . . . 1.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.52 ' CE2' ' HB ' ' A' ' 2' ' ' VAL . 25.9 t80 -62.51 -18.18 61.35 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.005 1.441 . . . . 1.0 109.313 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.703 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -81.15 -44.34 18.03 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.006 1.441 . . . . 1.0 109.325 -179.36 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -43.2 20.88 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.0 1.437 . . . . 1.0 109.285 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.43 -12.18 55.81 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.419 . . . . 1.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -113.32 -37.83 4.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.449 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.858 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 1.1 t80 -132.84 66.85 77.25 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.961 1.413 . . . . 1.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.91 21.23 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.51 2.806 . . . . 1.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.95 -5.98 58.75 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.425 . . . . 1.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.858 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -84.46 10.39 10.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.956 1.41 . . . . 1.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' O ' HD11 ' A' ' 51' ' ' ILE . 43.6 tt0 -52.03 -50.87 60.58 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.07 -24.68 32.62 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 t -52.47 -44.84 65.82 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.043 1.464 . . . . 1.0 109.254 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.497 HG12 ' N ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -82.48 -30.66 9.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.025 1.453 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.497 ' N ' HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.22 -46.08 68.95 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 1.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -57.77 -57.21 13.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.013 1.445 . . . . 1.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -62.21 -28.39 69.65 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.011 1.445 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.592 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -59.38 -53.68 55.38 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.986 1.429 . . . . 1.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -77.88 -29.18 50.13 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.987 1.429 . . . . 1.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -84.38 18.61 2.16 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.994 1.434 . . . . 1.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 8.1 t-20 -105.14 -86.17 0.47 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.99 1.431 . . . . 1.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -83.71 -35.89 24.12 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.007 1.442 . . . . 1.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 75.8 m 89.48 43.63 0.01 OUTLIER 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.044 1.465 . . . . 1.0 109.336 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.01 -168.15 0.13 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.963 1.414 . . . . 1.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -119.14 115.16 46.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 125.062 1.476 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HE3' ' CH2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -107.03 129.35 54.82 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.96 1.413 . . . . 1.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.03 113.14 41.07 Favored Pre-proline 0 C--O 1.239 0.535 0 O-C-N 124.989 1.43 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 2.81 6.19 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.542 2.828 . . . . 1.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.69 71.37 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 1.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.472 ' C ' ' H ' ' A' ' 69' ' ' GLY . 1.6 pm0 -74.06 160.74 80.97 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.053 1.471 . . . . 1.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 32.25 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.546 2.831 . . . . 1.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 67' ' ' GLU . . . -177.13 38.04 0.09 OUTLIER Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.3 -1.52 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.752 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 22.5 t-20 -70.31 -37.89 7.77 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.018 1.07 . . . . 1.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.752 ' CD ' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.97 51.66 2.84 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.539 2.826 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.9 -57.41 0.05 OUTLIER Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.11 -78.34 0.28 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.985 1.05 . . . . 1.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -143.93 -116.31 1.1 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.611 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 4.2 m-80 -133.64 -159.67 0.98 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.004 1.061 . . . . 1.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 7.8 m-85 -146.15 85.07 1.66 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.998 1.436 . . . . 1.0 109.297 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.523 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 10.4 m0 -78.64 133.5 37.24 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.982 1.426 . . . . 1.0 109.302 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 5.1 p -120.44 132.83 55.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.022 1.451 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.57 123.15 20.06 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.985 1.428 . . . . 1.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 4.2 p-10 -69.64 113.03 14.17 Favored Pre-proline 0 C--O 1.24 0.566 0 O-C-N 125.008 1.443 . . . . 1.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.53 5.55 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.471 2.78 . . . . 1.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 67.7 44.01 1.71 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.959 1.412 . . . . 1.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 p -78.34 -41.81 32.41 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.989 1.431 . . . . 1.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.78 33.4 4.41 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.953 1.408 . . . . 1.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -79.73 -47.29 15.54 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.019 1.449 . . . . 1.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -26.15 8.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.992 1.433 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -75.23 -36.22 61.34 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.015 1.447 . . . . 1.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.5 -60.56 2.62 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.961 1.413 . . . . 1.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -67.65 -35.25 78.54 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.97 1.419 . . . . 1.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.77 -47.88 69.15 Favored Glycine 0 C--N 1.344 1.003 0 N-CA-C 109.262 -1.535 . . . . 1.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 92' ' ' PHE . 4.8 t -78.82 -71.17 0.45 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.01 1.065 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 6.0 p90 176.34 74.17 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.94 1.4 . . . . 1.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.379 0 O-C-N 125.027 1.454 . . . . 1.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' N ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.579 0 CA-C-O 118.372 -0.823 . . . . 1.0 109.29 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.511 HG12 ' CD1' ' A' ' 39' ' ' TYR . 84.1 t -135.25 -75.43 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.017 1.448 . . . . 1.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.595 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 5.8 tptt -152.18 -64.13 0.02 OUTLIER Pre-proline 0 C--O 1.24 0.594 0 O-C-N 125.005 1.44 . . . . 1.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.595 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -74.99 161.47 38.75 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.535 2.823 . . . . 1.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.89 15.94 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.462 2.775 . . . . 1.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.613 ' CZ ' ' CH2' ' A' ' 47' ' ' TRP . 3.5 t80 -111.67 138.72 47.86 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.069 1.481 . . . . 1.0 109.289 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 1.3 m -130.02 138.47 50.8 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.987 1.429 . . . . 1.0 109.33 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' LEU . 2.9 m-85 -77.16 -68.37 0.62 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.976 1.423 . . . . 1.0 109.274 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' CG2' ' A' ' 13' ' ' THR . 0.2 OUTLIER -46.97 -36.62 3.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 125.029 1.456 . . . . 1.0 109.298 -179.539 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB2' ' CB ' ' A' ' 7' ' ' SER . . . -69.46 -32.46 71.4 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.489 HD13 ' CG1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -71.04 -50.93 28.69 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.971 1.42 . . . . 1.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.472 HG13 ' CD2' ' A' ' 55' ' ' LEU . 1.5 mp -58.76 -53.59 45.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.996 1.435 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 20.5 p -42.56 -36.79 1.47 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.994 1.434 . . . . 1.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -80.71 -38.46 28.83 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.015 1.447 . . . . 1.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -62.41 -46.03 90.43 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.012 1.445 . . . . 1.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.401 ' CD1' ' HG ' ' A' ' 24' ' ' LEU . 22.5 mm -65.19 -44.96 95.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.974 1.421 . . . . 1.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -43.53 94.03 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.012 1.445 . . . . 1.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -50.75 -22.07 1.94 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.017 1.448 . . . . 1.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 21' ' ' GLN . 1.9 p -118.22 76.97 12.59 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 124.995 1.435 . . . . 1.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.01 32.54 0.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.497 2.798 . . . . 1.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.496 ' O ' ' CE ' ' A' ' 22' ' ' LYS . 44.5 tp60 -122.86 -85.93 0.65 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.996 1.435 . . . . 1.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 170.84 42.41 0.0 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.98 1.425 . . . . 1.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -141.25 108.51 5.51 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 29' ' ' ILE . 4.3 mm? -120.32 64.62 0.83 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.976 1.423 . . . . 1.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -66.93 121.41 15.44 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.012 1.445 . . . . 1.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -31.94 39.23 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.973 1.421 . . . . 1.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -41.97 84.11 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.988 1.43 . . . . 1.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -80.77 -44.6 8.28 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 24' ' ' LEU . 1.5 mp -56.25 -49.79 74.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.988 1.052 . . . . 1.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.4 t -59.13 -57.17 14.22 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.002 1.439 . . . . 1.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -62.24 -21.95 65.58 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.981 1.426 . . . . 1.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -73.05 -47.13 47.42 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.432 . . . . 1.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.489 ' CG1' HD13 ' A' ' 11' ' ' LEU . 2.1 mt -66.93 -50.68 62.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.012 1.445 . . . . 1.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.1 p -65.37 -17.56 64.62 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.002 1.439 . . . . 1.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.09 -45.62 69.81 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 20.4 mmm-85 -80.03 -33.81 38.86 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.013 1.446 . . . . 1.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -122.87 83.93 49.96 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 125.001 1.438 . . . . 1.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.46 7.14 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.481 2.787 . . . . 1.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.511 ' CD1' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -71.9 -28.84 63.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.018 1.449 . . . . 1.0 109.284 -179.752 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CE1' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -65.83 -55.23 18.19 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.992 1.432 . . . . 1.0 109.298 -179.357 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -38.08 47.41 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.972 1.42 . . . . 1.0 109.3 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.23 -37.81 78.19 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.938 1.399 . . . . 1.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -54.52 6.85 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.983 1.427 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.544 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.7 t80 -131.39 92.97 30.54 Favored Pre-proline 0 C--O 1.239 0.533 0 O-C-N 125.013 1.446 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 4.92 4.27 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.533 2.822 . . . . 1.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -84.84 23.1 1.23 Allowed 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.016 1.448 . . . . 1.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CH2' ' CZ ' ' A' ' 6' ' ' TYR . 61.6 m95 -69.06 -41.48 77.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.018 1.449 . . . . 1.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.41 -43.11 88.47 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.014 1.446 . . . . 1.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -67.47 -56.59 8.95 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -58.17 -47.92 81.89 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.553 ' HA ' ' OD1' ' A' ' 54' ' ' ASN . 73.6 mt -61.97 -61.84 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.963 1.414 . . . . 1.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.79 -23.99 0.05 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.566 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 3.2 t60 -80.49 -58.4 3.14 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.984 1.428 . . . . 1.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.553 ' OD1' ' HA ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -71.66 -32.46 67.92 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.053 1.471 . . . . 1.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.615 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -56.61 -57.39 12.6 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.996 1.435 . . . . 1.0 109.316 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.15 -32.71 59.24 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.978 1.423 . . . . 1.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 tp -85.19 23.57 1.25 Allowed 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.448 ' ND2' ' OD2' ' A' ' 59' ' ' ASP . 5.1 t30 -107.54 -85.1 0.52 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.027 1.454 . . . . 1.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.757 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 21.8 m-20 -81.19 -30.0 34.44 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.94 1.4 . . . . 1.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.757 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 9.9 m 86.01 28.74 0.05 OUTLIER 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.045 1.466 . . . . 1.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.708 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -67.33 -178.07 0.79 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.023 1.452 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.605 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 10.5 m -112.35 139.23 38.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.016 1.448 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 1.1 pttp -112.46 172.54 6.86 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.001 1.438 . . . . 1.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.7 mt -109.03 97.16 23.45 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.993 1.433 . . . . 1.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 10.59 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.563 2.842 . . . . 1.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.51 86.15 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.017 1.448 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.58 ' OE1' ' CE2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -68.62 138.73 91.08 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 124.953 1.408 . . . . 1.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.98 1.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.516 2.81 . . . . 1.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.47 -44.8 8.38 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.363 -1.495 . . . . 1.0 109.363 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' C ' ' H ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -115.83 80.56 8.8 Favored Pre-proline 0 C--O 1.24 0.579 0 O-C-N 124.98 1.047 . . . . 1.0 109.328 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 16.43 0.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.514 2.809 . . . . 1.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 70' ' ' ASN . . . -94.23 -81.66 1.53 Allowed Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.271 -1.532 . . . . 1.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -139.94 50.94 1.72 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.98 1.047 . . . . 1.0 109.304 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.42 ' C ' ' OD1' ' A' ' 75' ' ' ASN . . . -105.75 115.92 5.0 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.614 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.1 m-20 -138.65 92.78 2.65 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.058 . . . . 1.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' OE1' ' A' ' 67' ' ' GLU . 16.9 m-85 -89.12 134.21 34.1 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.016 1.448 . . . . 1.0 109.329 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.605 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.1 m0 -106.64 135.35 48.32 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.952 1.407 . . . . 1.0 109.298 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 15.0 p -121.87 139.02 54.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.035 1.459 . . . . 1.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.708 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -71.62 127.13 31.57 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.011 1.444 . . . . 1.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -71.59 135.57 83.71 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 59.36 5.19 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.453 2.768 . . . . 1.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.413 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 15.6 pt20 177.45 42.1 0.0 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.028 1.455 . . . . 1.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.9 m -80.55 -26.37 38.03 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.984 1.428 . . . . 1.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -71.4 -43.86 66.02 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.01 1.444 . . . . 1.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 82' ' ' GLN . 2.2 p-10 -81.21 2.63 26.94 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.944 1.403 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -40.56 33.5 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.044 1.465 . . . . 1.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -105.25 -45.99 4.35 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.431 . . . . 1.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -34.92 15.37 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.066 1.478 . . . . 1.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -53.89 -44.96 70.91 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.036 1.46 . . . . 1.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.22 -58.1 10.3 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.269 -1.532 . . . . 1.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.75 -58.96 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.942 1.024 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -179.59 -59.61 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.006 1.441 . . . . 1.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.344 0.363 0 O-C-N 124.984 1.428 . . . . 1.0 109.331 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.574 0 CA-C-O 118.448 -0.787 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.12 -78.58 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.949 1.406 . . . . 1.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.61 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -167.17 -64.57 0.01 OUTLIER Pre-proline 0 C--O 1.239 0.528 0 O-C-N 124.967 1.417 . . . . 1.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.61 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.5 Cg_endo -74.98 122.52 7.27 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.482 2.788 . . . . 1.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 73.88 4.16 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.504 2.802 . . . . 1.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -130.65 171.03 13.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.045 1.466 . . . . 1.0 109.31 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.88 177.69 4.68 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 1.0 109.281 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.716 ' CZ ' ' CZ3' ' A' ' 47' ' ' TRP . 0.6 OUTLIER -80.44 -72.64 0.4 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.311 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.486 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 1.2 mp -54.61 -32.04 24.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.987 1.43 . . . . 1.0 109.313 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -57.15 -39.81 75.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.968 1.417 . . . . 1.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.524 HD23 ' CZ ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -81.49 -37.69 27.52 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.004 1.44 . . . . 1.0 109.307 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 9' ' ' ILE . 1.3 mp -46.84 -37.69 3.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.979 1.424 . . . . 1.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 10' ' ' ALA . 39.1 p -43.82 -43.12 6.03 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.025 1.453 . . . . 1.0 109.292 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 mtm -81.54 -39.21 25.0 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.954 1.409 . . . . 1.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -46.81 -32.31 3.61 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.616 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 1.3 tp -77.52 -43.55 30.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 125.023 1.452 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.86 -32.9 15.47 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.991 1.432 . . . . 1.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 1.5 mp0 -51.12 -22.75 2.68 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.994 1.434 . . . . 1.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 21' ' ' GLN . 77.3 p -114.28 85.33 10.42 Favored Pre-proline 0 C--O 1.239 0.552 0 O-C-N 125.017 1.448 . . . . 1.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 12.45 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.485 2.79 . . . . 1.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -132.53 -83.89 0.48 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.043 1.464 . . . . 1.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.48 40.74 0.0 OUTLIER 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.006 1.441 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -139.15 99.69 3.82 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.042 1.464 . . . . 1.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' CD1' HD13 ' A' ' 16' ' ' ILE . 27.0 mt -105.05 103.5 13.06 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.028 1.455 . . . . 1.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 28' ' ' GLY . 15.9 m -89.59 102.96 15.64 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.986 1.428 . . . . 1.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -41.12 -37.85 0.95 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.984 1.427 . . . . 1.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.3 m -56.76 -44.91 82.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.992 1.432 . . . . 1.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.05 -27.65 52.27 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.262 -1.535 . . . . 1.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 25' ' ' THR . 21.7 mm -58.2 -54.68 29.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.957 1.034 . . . . 1.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.96 -40.49 75.39 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.973 1.42 . . . . 1.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -55.72 -38.33 69.6 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.012 1.445 . . . . 1.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.523 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.16 -42.39 62.84 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.023 1.452 . . . . 1.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.555 HG21 ' CD1' ' A' ' 37' ' ' PHE . 86.9 mt -67.53 -53.82 28.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.003 1.44 . . . . 1.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.2 t -46.59 -26.46 0.9 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.057 1.473 . . . . 1.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.61 -46.87 74.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.99 1.431 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -100.22 9.72 42.34 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.985 1.428 . . . . 1.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' CD2' ' A' ' 40' ' ' TYR . 12.0 m-85 -137.31 64.15 45.21 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 125.018 1.449 . . . . 1.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -75.05 -52.34 0.11 Allowed 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.485 2.79 . . . . 1.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 39' ' ' TYR . 18.6 t80 -80.56 -9.02 59.79 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.987 1.43 . . . . 1.0 109.357 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -80.01 -39.03 30.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.052 1.47 . . . . 1.0 109.336 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -72.51 -55.33 7.14 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.004 1.44 . . . . 1.0 109.299 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.27 -33.44 3.72 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.038 1.461 . . . . 1.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -52.37 5.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.999 1.437 . . . . 1.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 7.6 t80 -131.77 87.81 44.2 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 124.944 1.402 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 5.32 4.06 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.489 2.793 . . . . 1.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -84.62 26.35 0.82 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.015 1.447 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.716 ' CZ3' ' CZ ' ' A' ' 8' ' ' TYR . 67.4 m95 -68.94 -42.65 76.43 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.018 1.449 . . . . 1.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 2.5 mt-30 -56.25 -43.79 79.04 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.007 1.442 . . . . 1.0 109.335 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -80.62 -43.44 20.52 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.018 1.449 . . . . 1.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 19.8 m -63.84 -65.43 0.68 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.07 1.481 . . . . 1.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.696 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -52.18 -43.59 38.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.998 1.436 . . . . 1.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -43.94 -38.12 3.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.999 1.437 . . . . 1.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.54 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -81.58 -56.24 4.14 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.956 1.41 . . . . 1.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 4.2 m120 -59.07 -27.6 65.68 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.975 1.422 . . . . 1.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.696 ' N ' ' O ' ' A' ' 51' ' ' ILE . 16.8 tp -64.72 -53.46 46.97 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.018 1.449 . . . . 1.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -80.68 -5.6 57.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.022 1.451 . . . . 1.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -83.07 -2.96 56.71 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 1.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -97.48 -82.27 0.42 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.977 1.423 . . . . 1.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 21.6 m-20 -87.13 -34.64 19.01 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.995 1.434 . . . . 1.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 78.79 73.52 0.05 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.032 1.458 . . . . 1.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.665 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -86.58 -168.95 2.42 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.983 1.427 . . . . 1.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.436 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 6.4 m -114.53 103.62 15.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 124.986 1.429 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' C ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -79.99 143.84 33.78 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.992 1.433 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.68 ' O ' HG12 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -129.65 60.81 54.01 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.008 1.443 . . . . 1.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 40.1 0.64 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.496 2.798 . . . . 1.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 1.9 tpm_? 173.36 90.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.041 1.463 . . . . 1.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.498 ' CB ' HD12 ' A' ' 64' ' ' ILE . 19.9 tp10 -129.24 114.54 18.5 Favored Pre-proline 0 C--O 1.239 0.534 0 O-C-N 124.979 1.425 . . . . 1.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 48.5 2.01 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.555 2.837 . . . . 1.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.54 40.99 0.04 OUTLIER Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.525 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 33.2 t30 -137.97 59.05 17.38 Favored Pre-proline 0 C--O 1.239 0.532 0 O-C-N 125.011 1.065 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -75.03 70.96 5.18 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.474 2.783 . . . . 1.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.35 -88.0 1.2 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.281 -1.527 . . . . 1.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -141.97 -52.25 0.42 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.974 1.044 . . . . 1.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.57 -115.45 1.16 Allowed Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.448 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.5 OUTLIER -137.17 -157.83 0.81 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.997 1.057 . . . . 1.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.459 ' HB2' ' CG ' ' A' ' 23' ' ' LYS . 1.9 p90 -172.25 125.55 0.53 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.95 1.406 . . . . 1.0 109.272 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.563 ' N ' ' CD1' ' A' ' 77' ' ' TRP . 1.9 m0 -94.52 151.6 19.22 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.448 . . . . 1.0 109.331 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.494 ' C ' ' HB3' ' A' ' 61' ' ' PHE . 91.3 m -122.3 133.79 54.67 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.967 1.417 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -66.13 128.25 35.34 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.005 1.441 . . . . 1.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.539 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -69.9 -51.88 14.23 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.982 1.426 . . . . 1.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.1 Cg_endo -75.08 42.27 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.529 2.819 . . . . 1.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 165.83 42.49 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.019 1.449 . . . . 1.0 109.33 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 84' ' ' GLU . 81.1 p -80.66 -64.62 1.15 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.954 1.409 . . . . 1.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' ' 83' ' ' SER . 3.7 mt-10 76.02 -8.4 1.63 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.017 1.448 . . . . 1.0 109.248 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -73.47 -59.62 2.63 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.972 1.42 . . . . 1.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.812 ' O ' ' HB3' ' A' ' 87' ' ' PHE . 5.3 mmt -83.2 -89.06 0.09 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.061 1.475 . . . . 1.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.812 ' HB3' ' O ' ' A' ' 86' ' ' MET . 0.1 OUTLIER 155.26 -30.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.995 1.435 . . . . 1.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.622 ' OD2' ' CE2' ' A' ' 87' ' ' PHE . 1.7 p30 175.5 33.44 0.0 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.004 1.44 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -69.7 -49.46 53.15 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.038 1.461 . . . . 1.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 91' ' ' SER . . . -80.87 -76.35 1.04 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.364 -1.494 . . . . 1.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 90' ' ' GLY . 3.2 p 86.4 -11.29 0.63 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.983 1.049 . . . . 1.0 109.263 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.4 t80 175.09 74.09 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.978 1.424 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 1.2 tm? . . . . . 0 C--N 1.345 0.396 0 O-C-N 124.99 1.431 . . . . 1.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.477 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 2.6 p . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.406 -0.807 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.3 m-85 -81.53 -69.11 0.64 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.98 1.425 . . . . 1.0 109.324 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.514 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -38.62 -43.15 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.999 1.437 . . . . 1.0 109.317 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 7' ' ' SER . . . -68.44 -40.44 81.13 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.03 1.456 . . . . 1.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -55.17 -31.15 61.14 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.996 1.435 . . . . 1.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' ALA . 13.9 mm -82.14 -47.57 19.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.961 1.413 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.432 ' C ' HG22 ' A' ' 16' ' ' ILE . 1.6 m -44.98 -38.02 4.43 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.942 1.401 . . . . 1.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.444 ' HE2' ' O ' ' A' ' 11' ' ' LEU . 4.1 ptt? -83.24 -26.87 30.35 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.962 1.414 . . . . 1.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -77.02 -23.64 52.17 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.985 1.428 . . . . 1.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.622 HD11 ' CD1' ' A' ' 79' ' ' LEU . 4.8 tp -82.22 -49.8 16.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.984 1.428 . . . . 1.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -52.72 -27.27 16.88 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.968 1.417 . . . . 1.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.405 ' OE1' ' HB2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -41.5 -33.74 0.47 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.06 1.475 . . . . 1.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 8.6 p -102.15 111.99 64.93 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 124.985 1.428 . . . . 1.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.86 8.41 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.548 2.832 . . . . 1.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.41 -84.77 0.66 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.997 1.436 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 42.68 0.0 OUTLIER 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.961 1.413 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' HD22 ' A' ' 24' ' ' LEU . 6.9 mtmm -140.71 114.45 8.9 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.01 1.443 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 4.2 mm? -116.02 130.63 56.9 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 75' ' ' ASN . 69.3 p -106.84 104.51 14.21 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.04 1.463 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.32 -34.22 1.17 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.013 1.446 . . . . 1.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 t -66.61 -41.67 88.03 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.031 1.457 . . . . 1.0 109.264 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.15 -16.97 80.15 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.333 -1.507 . . . . 1.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.426 ' O ' HG12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -79.32 -52.79 14.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.993 1.055 . . . . 1.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.2 p -51.78 -45.19 63.72 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.966 1.416 . . . . 1.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -70.75 -29.09 65.23 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.049 1.468 . . . . 1.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -70.8 -34.62 71.93 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.985 1.428 . . . . 1.0 109.3 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 46.8 mm -64.56 -61.21 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.976 1.422 . . . . 1.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -50.67 -22.48 2.08 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.452 . . . . 1.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.29 -32.8 70.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.053 1.471 . . . . 1.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.86 14.5 3.62 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.986 1.429 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 11' ' ' LEU . 5.0 m-85 -140.49 61.09 15.32 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 124.98 1.425 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 18.4 Cg_endo -74.95 -53.57 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.522 2.814 . . . . 1.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -71.43 -19.38 62.25 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.017 1.448 . . . . 1.0 109.306 -179.765 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.72 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 0.5 OUTLIER -80.85 -53.15 6.72 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.984 1.428 . . . . 1.0 109.277 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -41.21 67.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 17.4 tp10 -66.59 -11.64 54.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.443 . . . . 1.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -111.15 -36.73 5.53 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.021 1.451 . . . . 1.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.813 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -132.84 64.9 72.87 Favored Pre-proline 0 C--O 1.24 0.584 0 O-C-N 125.022 1.452 . . . . 1.0 109.242 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.99 -10.62 21.31 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.566 2.844 . . . . 1.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.1 -18.76 45.39 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.971 1.42 . . . . 1.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.813 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -77.15 -2.99 37.19 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.989 1.43 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -48.56 -40.57 27.63 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.425 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -81.71 -38.09 26.32 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.001 1.438 . . . . 1.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.41 ' OG ' ' OH ' ' A' ' 8' ' ' TYR . 53.5 p -48.02 -44.81 31.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.952 1.408 . . . . 1.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 47' ' ' TRP . 90.8 mt -64.89 -41.87 93.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.03 1.456 . . . . 1.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -56.8 -40.33 75.77 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.044 1.465 . . . . 1.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.458 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -56.06 -49.71 73.01 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.486 ' HA ' ' HB3' ' A' ' 57' ' ' LEU . 7.1 m120 -78.84 -21.72 47.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.045 1.466 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.6 ' CD2' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -59.01 -52.99 63.38 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.438 . . . . 1.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 11.5 t -82.75 -22.24 34.42 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.973 1.421 . . . . 1.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -82.56 -9.35 59.44 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.057 1.473 . . . . 1.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.446 ' ND2' HG13 ' A' ' 12' ' ' ILE . 2.3 m-80 -88.6 -82.09 0.25 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.97 1.419 . . . . 1.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.546 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 91.1 m-20 -71.2 -53.3 14.91 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.006 1.441 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 9.9 m 95.85 49.61 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.02 1.45 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.86 -173.5 4.72 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.993 1.433 . . . . 1.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 5.2 m -118.28 124.71 73.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.994 1.434 . . . . 1.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -99.16 147.19 25.36 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.024 1.452 . . . . 1.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.444 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 1.1 pt -106.77 99.76 27.38 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 124.939 1.4 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.0 91.54 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.489 2.793 . . . . 1.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 63.43 71.68 0.5 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.07 1.481 . . . . 1.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 64' ' ' ILE . 3.3 tp10 . . . . . 0 C--O 1.24 0.571 0 O-C-N 124.976 1.423 . . . . 1.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.752 ' O ' HG22 ' A' ' 25' ' ' THR . 5.3 m120 -130.5 175.65 8.8 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.97 1.041 . . . . 1.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -126.65 78.87 1.82 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.049 1.468 . . . . 1.0 109.301 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.6 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 9.2 m0 -72.21 128.28 35.17 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.037 1.46 . . . . 1.0 109.272 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 28.1 m -124.15 135.32 53.41 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.952 1.408 . . . . 1.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.622 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -71.63 131.41 43.15 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.015 1.447 . . . . 1.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 C--O 1.241 0.619 0 O-C-N 124.988 1.43 . . . . 1.0 109.343 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.553 ' OG ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.562 0 CA-C-O 118.406 -0.807 . . . . 1.0 109.324 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.479 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -85.45 -69.61 0.65 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.959 1.412 . . . . 1.0 109.327 -179.806 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 10' ' ' ALA . 1.6 pp -53.52 -57.75 4.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.018 1.449 . . . . 1.0 109.36 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HB3' ' OG ' ' A' ' 7' ' ' SER . . . -50.29 -30.74 12.58 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.949 1.406 . . . . 1.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 7' ' ' SER . 1.2 tt -73.12 -34.76 66.32 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.994 1.434 . . . . 1.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.1 mp -81.42 -51.59 15.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.018 1.449 . . . . 1.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 9' ' ' ILE . 58.9 p -48.69 -36.28 15.8 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.98 1.425 . . . . 1.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.533 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 6.6 ptt? -76.99 -22.88 52.48 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.951 1.407 . . . . 1.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -79.59 -26.83 41.19 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.915 1.384 . . . . 1.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 12' ' ' ILE . 1.4 mp -79.56 -56.63 6.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.978 1.424 . . . . 1.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 3.6 pp -49.86 -28.77 6.96 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.943 1.402 . . . . 1.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -63.32 -13.42 38.64 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.08 1.487 . . . . 1.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 21' ' ' GLN . 17.8 m -115.59 81.79 9.39 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.02 25.38 0.38 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.518 2.812 . . . . 1.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 20.6 tt0 -116.56 -29.49 6.12 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 25.2 mtpt 95.06 30.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.978 1.424 . . . . 1.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -140.36 99.46 3.66 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.02 1.45 . . . . 1.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD13 ' OG ' ' A' ' 19' ' ' SER . 4.6 mm? -96.58 122.81 39.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.011 1.444 . . . . 1.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 75' ' ' ASN . 33.8 p -98.89 110.98 23.5 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.48 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -44.34 -40.67 5.49 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.031 1.457 . . . . 1.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.0 p -58.78 -39.31 80.67 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.97 1.418 . . . . 1.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -80.52 -31.51 36.89 Favored Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.328 -1.509 . . . . 1.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.48 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 3.5 mm -59.98 -58.05 8.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.986 1.051 . . . . 1.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.2 t -57.12 -42.94 81.81 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.022 1.451 . . . . 1.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -67.79 -33.87 75.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.977 1.423 . . . . 1.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 33' ' ' ILE . 7.2 t80 -65.06 -46.38 81.46 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.007 1.442 . . . . 1.0 109.358 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 32' ' ' PHE . 41.4 mm -63.33 -48.56 86.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.979 1.425 . . . . 1.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -24.31 67.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.961 1.413 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -67.52 -39.97 85.08 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.025 1.453 . . . . 1.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -91.52 -46.26 8.07 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.985 1.428 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.487 ' CE2' HD12 ' A' ' 11' ' ' LEU . 3.2 m-85 -122.71 79.0 48.42 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 125.0 1.437 . . . . 1.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -34.28 4.0 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.533 2.822 . . . . 1.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.66 -30.37 69.05 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.981 1.426 . . . . 1.0 109.277 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 1.1 t80 -64.63 -47.57 78.05 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.963 1.414 . . . . 1.0 109.277 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -78.17 -41.82 33.55 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 1.0 109.285 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.03 -21.94 47.6 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.006 1.442 . . . . 1.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -113.99 -19.96 11.21 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.015 1.447 . . . . 1.0 109.344 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.743 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -130.3 66.69 78.72 Favored Pre-proline 0 C--O 1.239 0.524 0 O-C-N 124.997 1.436 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -9.21 20.7 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.473 2.782 . . . . 1.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.23 -17.28 46.63 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.034 1.459 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -81.16 9.74 6.4 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.026 1.453 . . . . 1.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -47.81 84.56 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.007 1.442 . . . . 1.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -81.2 -27.95 35.12 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.039 1.462 . . . . 1.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 t -53.61 -44.32 69.37 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.014 1.446 . . . . 1.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.1 pt -72.94 -34.34 45.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.009 1.443 . . . . 1.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.446 ' NE ' HD11 ' A' ' 26' ' ' LEU . 45.0 mtt180 -58.25 -49.6 76.52 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.988 1.43 . . . . 1.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 22.5 t60 -61.69 -60.32 3.84 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.458 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 12.8 t-20 -56.1 -29.58 60.8 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.016 1.448 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 11.4 tp -67.57 -44.07 79.07 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.955 1.409 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 24.6 p -83.53 -27.82 29.08 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.016 1.447 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -81.97 -16.37 50.61 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.949 1.406 . . . . 1.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 45.9 m-20 -86.11 -76.42 0.34 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.02 1.45 . . . . 1.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 6.2 m-20 -66.77 -60.14 2.94 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.002 1.439 . . . . 1.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 25.9 m 97.69 31.06 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -76.77 -177.21 4.2 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.994 1.434 . . . . 1.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 14.8 m -110.81 123.74 66.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.015 1.447 . . . . 1.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.52 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 2.1 ptpt -97.46 165.41 12.02 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.015 1.447 . . . . 1.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.413 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 54.4 mt -110.27 93.09 14.8 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 125.023 1.452 . . . . 1.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.04 17.62 0.59 Allowed 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.495 2.797 . . . . 1.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 64' ' ' ILE . 43.3 ttt-85 176.56 85.86 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 74' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.589 0 O-C-N 124.992 1.432 . . . . 1.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.811 ' O ' HG22 ' A' ' 25' ' ' THR . 84.5 m-20 -165.86 170.01 14.28 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.048 . . . . 1.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 8.2 m-85 -136.6 90.79 2.59 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.001 1.438 . . . . 1.0 109.292 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.614 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 4.4 m0 -82.64 131.87 35.2 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.0 1.438 . . . . 1.0 109.309 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.563 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 4.5 m -119.27 138.3 53.1 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.493 ' CD1' ' HB3' ' A' ' 59' ' ' ASP . 1.8 tp -70.36 119.84 15.14 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.029 1.456 . . . . 1.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.241 0.609 0 O-C-N 124.96 1.413 . . . . 1.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.386 -0.816 . . . . 1.0 109.294 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 50' ' ' SER . 0.7 OUTLIER -80.09 -51.96 8.37 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.965 1.416 . . . . 1.0 109.317 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.895 ' O ' HG23 ' A' ' 13' ' ' THR . 0.2 OUTLIER -53.36 -41.73 45.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 124.957 1.411 . . . . 1.0 109.308 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -70.1 -21.22 63.14 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.974 1.421 . . . . 1.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.501 HD23 ' CD1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -80.84 -36.48 31.46 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.003 1.439 . . . . 1.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CD1' HD23 ' A' ' 11' ' ' LEU . 1.4 mp -80.82 -36.8 15.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.029 1.456 . . . . 1.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.895 HG23 ' O ' ' A' ' 9' ' ' ILE . 2.9 p -46.99 -42.33 17.8 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.015 1.447 . . . . 1.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.432 ' HE3' ' HD2' ' A' ' 36' ' ' ARG . 6.8 ptt? -82.8 -24.1 33.55 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.962 1.414 . . . . 1.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -68.43 -56.15 9.43 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -44.0 -48.55 2.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 124.977 1.423 . . . . 1.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.406 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 3.3 mp -50.08 -25.96 3.96 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.966 1.416 . . . . 1.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 36.4 mm-40 -45.79 -27.8 0.92 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.991 1.432 . . . . 1.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.5 m -102.87 104.16 37.76 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 125.023 1.452 . . . . 1.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.05 0.74 8.57 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.478 2.785 . . . . 1.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 22' ' ' LYS . 1.6 tp60 -124.75 -82.24 0.64 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.977 1.423 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.811 ' O ' HG22 ' A' ' 78' ' ' THR . 1.6 ptmt 178.29 39.06 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.014 1.446 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CG ' ' HB2' ' A' ' 76' ' ' TYR . 5.0 mptt -132.7 90.62 2.79 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.0 1.437 . . . . 1.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -77.48 114.86 16.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.989 1.43 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.2 p -101.81 98.4 8.65 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.943 1.402 . . . . 1.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -51.91 -21.62 3.15 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.983 1.427 . . . . 1.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 p -75.4 -24.47 57.17 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.026 1.454 . . . . 1.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' GLU . . . -81.17 -57.75 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -43.53 -45.53 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.989 1.052 . . . . 1.0 109.328 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.9 t -50.47 -37.2 37.17 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLY . 8.1 tp10 -82.07 -31.55 30.78 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.974 1.421 . . . . 1.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.662 ' CE2' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -79.92 -55.6 4.85 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.027 1.454 . . . . 1.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.662 ' CD1' ' CE2' ' A' ' 32' ' ' PHE . 4.8 mm -56.47 -38.69 57.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.973 1.421 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -79.89 -24.4 41.18 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.991 1.432 . . . . 1.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 32' ' ' PHE . 1.1 m-20 -61.12 -49.0 79.04 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.002 1.439 . . . . 1.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HD2' ' HE3' ' A' ' 14' ' ' MET . 0.1 OUTLIER -89.6 -25.78 21.13 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.014 1.446 . . . . 1.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 36' ' ' ARG . 9.8 m-85 -128.99 69.23 80.76 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 124.974 1.421 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 36' ' ' ARG . 18.1 Cg_endo -75.05 -56.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.482 2.788 . . . . 1.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -53.59 -23.84 12.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.972 1.42 . . . . 1.0 109.264 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -38.06 89.1 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.965 1.415 . . . . 1.0 109.298 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -61.95 -53.6 53.34 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.942 1.401 . . . . 1.0 109.324 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -38.67 75.17 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.978 1.423 . . . . 1.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -53.21 18.09 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.959 1.412 . . . . 1.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.4 t80 -133.38 96.18 17.39 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.992 1.432 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.81 10.4 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.479 2.786 . . . . 1.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -84.92 23.84 1.15 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.949 1.405 . . . . 1.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 32.2 m95 -68.16 -58.4 4.51 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.998 1.436 . . . . 1.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.55 ' CD ' ' CD1' ' A' ' 26' ' ' LEU . 8.8 tt0 -50.15 -36.37 29.82 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.046 1.466 . . . . 1.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -72.56 -48.09 42.82 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 3.0 p -65.6 -60.88 2.46 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.979 1.424 . . . . 1.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.732 ' O ' ' N ' ' A' ' 55' ' ' LEU . 7.5 pt -48.28 -54.43 4.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.007 1.442 . . . . 1.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' N ' ' CG1' ' A' ' 51' ' ' ILE . 0.3 OUTLIER -44.73 -39.42 5.16 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.015 1.447 . . . . 1.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -71.97 -54.98 8.29 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.952 1.408 . . . . 1.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -66.47 -29.0 69.03 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.016 1.447 . . . . 1.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 51' ' ' ILE . 2.9 mt -54.73 -54.28 44.03 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.986 1.429 . . . . 1.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -74.96 -26.47 59.61 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.07 16.7 2.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.007 1.442 . . . . 1.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.55 -83.27 0.6 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.003 1.439 . . . . 1.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.555 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.6 m-20 -81.97 -39.23 23.95 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.997 1.436 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 6.1 m 92.24 52.32 0.0 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.036 1.46 . . . . 1.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -92.06 -170.57 2.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.051 1.469 . . . . 1.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 3.3 t -118.04 135.66 57.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.025 1.453 . . . . 1.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.628 ' HB3' ' CE2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -103.36 142.75 33.68 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.289 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.565 ' N ' ' HD3' ' A' ' 65' ' ' PRO . 1.1 pp -130.72 58.46 38.94 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 125.016 1.448 . . . . 1.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 33.61 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.52 2.813 . . . . 1.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 64' ' ' ILE . 5.4 ttm180 -173.96 63.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.988 1.43 . . . . 1.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--O 1.24 0.57 0 O-C-N 125.039 1.462 . . . . 1.0 109.266 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.32 -172.39 2.61 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.021 1.071 . . . . 1.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.542 ' CD1' HD11 ' A' ' 64' ' ' ILE . 3.7 p90 -158.65 118.84 3.22 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.961 1.413 . . . . 1.0 109.316 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.628 ' CE2' ' HB3' ' A' ' 63' ' ' LYS . 3.3 m0 -94.23 153.36 18.1 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.058 1.474 . . . . 1.0 109.275 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 22' ' ' LYS . 65.3 p -131.43 144.97 51.57 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.983 1.427 . . . . 1.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -71.35 152.47 43.16 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.002 1.439 . . . . 1.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.239 0.524 0 O-C-N 125.052 1.47 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 36.5 t . . . . . 0 C--O 1.24 0.604 0 CA-C-O 118.405 -0.807 . . . . 1.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -75.54 -50.06 16.79 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.964 1.415 . . . . 1.0 109.305 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 10' ' ' ALA . 28.9 pt -57.12 -39.91 69.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.32 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 7' ' ' SER . . . -54.2 -40.29 67.46 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.029 1.456 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 7' ' ' SER . 41.8 mt -71.56 -47.18 56.65 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.986 1.429 . . . . 1.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.5 ' CG2' HD23 ' A' ' 55' ' ' LEU . 5.7 mm -60.99 -40.55 85.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.037 1.46 . . . . 1.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -45.04 -42.04 8.12 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 1.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.456 ' CE ' ' CZ ' ' A' ' 36' ' ' ARG . 23.4 ttp -79.67 -31.26 41.4 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.69 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -64.15 -44.99 90.43 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.511 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -75.15 -34.66 32.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.017 1.448 . . . . 1.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.69 -44.6 96.34 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.94 1.4 . . . . 1.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -47.44 -24.61 0.85 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.034 1.459 . . . . 1.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.426 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.5 p -71.78 114.47 28.9 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.019 1.449 . . . . 1.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.18 10.88 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.523 2.816 . . . . 1.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.76 -82.87 0.23 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.004 1.44 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.83 38.71 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 1.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 76' ' ' TYR . 11.9 mttm -131.27 105.73 7.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.031 1.457 . . . . 1.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 3.5 mm? -104.62 111.07 23.62 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.98 1.425 . . . . 1.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.818 HG22 ' O ' ' A' ' 75' ' ' ASN . 53.0 p -85.67 104.47 15.42 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.99 1.431 . . . . 1.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HG ' ' CD ' ' A' ' 52' ' ' ARG . 2.5 tm? -43.09 -29.34 0.35 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.945 1.403 . . . . 1.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.0 m -76.29 -42.49 45.23 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.84 -21.68 65.47 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 mp -74.41 -46.74 42.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 125.014 1.067 . . . . 1.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 p -56.89 -35.76 69.34 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.967 1.417 . . . . 1.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 4.7 tt0 -73.92 -44.99 53.31 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.032 1.458 . . . . 1.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.69 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -51.41 -45.08 62.41 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.036 1.46 . . . . 1.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.84 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 4.5 mt -79.51 -27.1 12.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 124.995 1.434 . . . . 1.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -65.47 -28.96 69.58 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.643 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 1.6 p-10 -85.45 -2.03 57.68 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.04 1.463 . . . . 1.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.555 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 2.4 ptt180 -135.56 6.14 3.22 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.977 1.423 . . . . 1.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.84 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 2.2 m-85 -131.16 72.9 81.16 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.036 1.46 . . . . 1.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' O ' ' HB2' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.03 -66.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.498 2.799 . . . . 1.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.526 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -80.99 1.02 33.03 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.969 1.418 . . . . 1.0 109.313 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.611 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -86.34 -50.42 6.94 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.937 1.398 . . . . 1.0 109.274 -179.32 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -84.35 -41.91 16.28 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -66.06 -7.03 15.0 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.018 1.449 . . . . 1.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -107.81 -49.29 3.25 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.44 . . . . 1.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.745 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.1 t80 -131.11 71.27 82.28 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.03 1.456 . . . . 1.0 109.225 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -4.85 16.01 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.537 2.825 . . . . 1.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . . . -80.93 -20.09 42.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.997 1.436 . . . . 1.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.745 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.69 12.07 5.14 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.982 1.426 . . . . 1.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.8 -44.59 90.82 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.974 1.421 . . . . 1.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -81.37 -38.54 26.45 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.024 1.452 . . . . 1.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -48.27 -40.69 25.61 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.045 1.466 . . . . 1.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.521 HD11 ' CE2' ' A' ' 47' ' ' TRP . 88.2 mt -66.71 -41.29 87.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 1.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.517 ' CD ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.1 -42.53 76.92 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.988 1.43 . . . . 1.0 109.358 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.503 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -57.35 -57.93 10.5 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.019 1.449 . . . . 1.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.41 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 21.9 t-20 -65.68 -24.17 66.94 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.982 1.426 . . . . 1.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.509 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -59.01 -51.97 67.77 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.0 1.438 . . . . 1.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 3.9 t -84.88 -17.89 36.51 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 1.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.3 mm? -83.23 -15.3 50.92 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.021 1.451 . . . . 1.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -88.12 -84.81 0.19 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.021 1.45 . . . . 1.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.4 m-20 -61.36 -54.37 44.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.001 1.438 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 94.62 44.14 0.0 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.001 1.438 . . . . 1.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -85.67 -176.23 5.96 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.03 1.456 . . . . 1.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 84.0 t -112.6 127.04 70.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.965 1.415 . . . . 1.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HB2' ' NE1' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -105.71 137.6 43.3 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.949 1.406 . . . . 1.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.556 HG21 ' CG ' ' A' ' 67' ' ' GLU . 3.0 mp -88.77 111.37 43.91 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.007 1.442 . . . . 1.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 -9.05 20.6 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.477 2.785 . . . . 1.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.57 84.78 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.556 ' CG ' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.549 0 O-C-N 124.995 1.435 . . . . 1.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.818 ' O ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -168.32 177.15 5.53 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.988 1.052 . . . . 1.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.503 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -127.6 97.34 4.82 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.996 1.435 . . . . 1.0 109.316 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.506 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 14.1 m0 -80.71 133.42 35.68 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.976 1.423 . . . . 1.0 109.279 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 30.8 p -120.59 133.62 55.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.993 1.433 . . . . 1.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.68 133.55 46.74 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.983 1.427 . . . . 1.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 1.4 p-10 . . . . . 0 C--O 1.239 0.51 0 O-C-N 125.037 1.461 . . . . 1.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.24 0.579 0 CA-C-O 118.409 -0.805 . . . . 1.0 109.274 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -47.26 13.57 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.985 1.428 . . . . 1.0 109.273 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.784 ' O ' HG23 ' A' ' 13' ' ' THR . 22.6 pt -61.29 -48.0 90.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 125.027 1.454 . . . . 1.0 109.337 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -55.03 -24.84 26.69 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.954 1.409 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.56 HD11 ' CE2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -80.92 -45.27 17.0 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.019 1.449 . . . . 1.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.578 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.8 mp -74.14 -45.72 47.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.988 1.43 . . . . 1.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.784 HG23 ' O ' ' A' ' 9' ' ' ILE . 17.6 p -41.22 -34.51 0.49 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.993 1.433 . . . . 1.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -83.87 -33.03 24.9 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.944 1.402 . . . . 1.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.792 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -63.18 -47.38 82.88 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.993 1.433 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 79' ' ' LEU . 2.2 tp -49.28 -42.71 15.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.034 1.459 . . . . 1.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.0 mm? -51.68 -31.64 26.63 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.95 1.406 . . . . 1.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.792 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -42.49 -31.65 0.46 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 1.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -127.11 99.2 28.75 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.79 10.39 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.487 2.791 . . . . 1.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.61 -76.76 0.6 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 1.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.724 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER 167.37 42.5 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.029 1.456 . . . . 1.0 109.334 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.31 93.9 2.63 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.003 1.439 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' A' ' 16' ' ' ILE . 1.1 mp -106.6 119.93 40.6 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.015 1.447 . . . . 1.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 75' ' ' ASN . 52.7 p -95.42 102.68 14.51 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.952 1.408 . . . . 1.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 2.8 tm? -45.24 -30.26 1.18 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t -60.29 -45.86 91.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 1.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.15 -24.33 61.67 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 34.7 mm -60.39 -54.16 38.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 125.067 1.098 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 t -54.57 -44.99 73.45 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.99 1.431 . . . . 1.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -66.51 -31.96 73.01 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.04 1.463 . . . . 1.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.654 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 1.1 t80 -67.44 -43.7 80.5 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.004 1.44 . . . . 1.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.557 HD13 ' CE2' ' A' ' 32' ' ' PHE . 49.3 mm -62.57 -58.47 7.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.054 1.471 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.7 p -59.81 -18.66 45.48 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.93 1.394 . . . . 1.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.67 -38.14 80.67 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.98 1.425 . . . . 1.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.567 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -128.03 6.88 6.01 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 88.1 m-85 -142.16 62.03 13.14 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.947 1.404 . . . . 1.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.98 -47.24 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.549 2.833 . . . . 1.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.82 -21.81 62.41 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.019 1.45 . . . . 1.0 109.295 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CD1' ' CH2' ' A' ' 47' ' ' TRP . 1.4 t80 -68.51 -49.44 59.6 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.025 1.453 . . . . 1.0 109.278 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -73.38 -33.5 65.07 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.446 . . . . 1.0 109.293 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -14.56 62.01 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.0 10.77 10.18 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.451 . . . . 1.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.81 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.9 t80 -178.83 65.01 0.17 Allowed Pre-proline 0 C--O 1.24 0.594 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.99 -17.75 19.32 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.515 2.81 . . . . 1.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.21 -17.07 64.51 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.01 1.444 . . . . 1.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.81 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -80.14 -1.1 38.76 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.984 1.427 . . . . 1.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -60.46 -41.72 94.73 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.029 1.456 . . . . 1.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 9.2 t30 -80.43 -39.14 28.8 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.008 1.442 . . . . 1.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.44 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 89.3 p -56.34 -48.95 75.72 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.971 1.419 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 81.9 mt -51.29 -30.82 10.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.439 . . . . 1.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' NE ' ' HG ' ' A' ' 26' ' ' LEU . 12.4 mtp180 -80.21 -37.94 32.15 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.985 1.428 . . . . 1.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -60.04 -61.32 2.7 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -25.68 67.93 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.99 1.431 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.569 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 1.4 mt -58.14 -53.18 61.21 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.005 1.441 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.478 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 3.1 t -81.94 -17.72 46.07 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.8 mp -81.28 -12.0 59.2 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.005 1.44 . . . . 1.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -98.79 -84.45 0.4 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.992 1.432 . . . . 1.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.622 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.1 m-20 -55.64 -52.84 62.46 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.966 1.416 . . . . 1.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER 95.26 37.46 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.002 1.439 . . . . 1.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -84.88 -176.65 6.31 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.452 . . . . 1.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -119.33 127.0 75.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.041 1.463 . . . . 1.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -104.88 142.38 34.85 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.948 1.405 . . . . 1.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 1.0 OUTLIER -125.87 70.44 66.59 Favored Pre-proline 0 C--O 1.239 0.528 0 O-C-N 124.901 1.376 . . . . 1.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.06 42.3 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.479 2.786 . . . . 1.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER 174.8 68.81 0.0 OUTLIER 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.415 . . . . 1.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--O 1.24 0.572 0 O-C-N 125.043 1.464 . . . . 1.0 109.29 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 109.27 -1.532 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 25' ' ' THR . 12.0 p30 -131.87 -165.28 1.56 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.022 1.072 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -157.42 136.8 11.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.993 1.433 . . . . 1.0 109.339 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.549 ' N ' ' CD1' ' A' ' 77' ' ' TRP . 2.3 m0 -95.68 145.87 24.95 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.995 1.434 . . . . 1.0 109.251 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 22' ' ' LYS . 37.1 p -126.59 136.1 52.1 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.998 1.436 . . . . 1.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.544 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -72.66 131.01 41.85 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.452 . . . . 1.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.314 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.546 0 CA-C-O 118.406 -0.807 . . . . 1.0 109.262 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.5 m-85 -81.16 -70.87 0.5 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.058 1.474 . . . . 1.0 109.303 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -47.76 -37.6 6.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.034 1.459 . . . . 1.0 109.325 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.01 -30.43 71.41 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.985 1.428 . . . . 1.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.676 ' CD2' ' CZ ' ' A' ' 37' ' ' PHE . 2.9 tm? -71.9 -57.28 4.45 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.992 1.433 . . . . 1.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 16' ' ' ILE . 2.1 mp -59.16 -42.41 86.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 125.028 1.455 . . . . 1.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -47.08 -37.52 9.74 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.001 1.438 . . . . 1.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.484 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 32.9 ttp -82.76 -35.14 26.81 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.982 1.426 . . . . 1.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -71.1 -30.19 66.23 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.931 1.394 . . . . 1.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.544 HD13 ' CE2' ' A' ' 61' ' ' PHE . 11.2 tp -79.65 -51.25 16.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.43 . . . . 1.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 0.9 OUTLIER -60.65 -28.37 68.52 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.987 1.43 . . . . 1.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 2.6 pp0? -49.6 -25.38 2.74 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.989 1.43 . . . . 1.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -69.4 114.79 26.57 Favored Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.03 1.456 . . . . 1.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -75.01 -1.42 11.21 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.492 2.794 . . . . 1.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -140.01 -83.91 0.24 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.971 1.419 . . . . 1.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.534 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER -179.43 37.29 0.0 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.02 1.45 . . . . 1.0 109.324 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -142.86 108.08 4.99 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.031 1.457 . . . . 1.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HB2' HD11 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -117.2 128.66 55.32 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.031 1.457 . . . . 1.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 75' ' ' ASN . 29.2 p -95.95 119.37 34.32 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.98 1.425 . . . . 1.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -49.66 -38.44 32.54 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 1.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.8 p -52.7 -39.18 61.76 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -79.07 -30.96 44.63 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.469 HD11 ' HB2' ' A' ' 24' ' ' LEU . 1.7 mp -59.05 -37.87 70.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 124.95 1.029 . . . . 1.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.43 -56.55 11.87 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.014 1.446 . . . . 1.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -67.25 -33.48 75.42 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' GLY . 1.5 t80 -56.89 -32.25 65.69 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.019 1.449 . . . . 1.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mt -75.18 -57.32 6.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 125.0 1.437 . . . . 1.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 t -54.72 -18.36 4.56 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.965 1.416 . . . . 1.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 10.6 m120 -74.5 -44.56 50.76 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.971 1.419 . . . . 1.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -90.21 -47.81 7.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.995 1.434 . . . . 1.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.676 ' CZ ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -119.0 81.79 20.27 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 125.005 1.441 . . . . 1.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.25 5.6 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.531 2.821 . . . . 1.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -26.5 59.53 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.014 1.446 . . . . 1.0 109.292 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CG ' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -65.2 -55.03 20.87 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.02 1.45 . . . . 1.0 109.299 -179.351 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -59.7 -41.37 90.62 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.26 -7.82 53.16 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.019 1.45 . . . . 1.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.61 -46.27 4.39 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.988 1.43 . . . . 1.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.739 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.4 t80 -138.28 73.56 43.46 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.037 1.46 . . . . 1.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.95 17.45 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.514 2.809 . . . . 1.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.74 -11.01 59.68 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.979 1.424 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.739 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -89.48 18.27 5.49 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.469 . . . . 1.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.68 -52.15 58.77 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.031 1.457 . . . . 1.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 36.9 t30 -80.32 -27.15 38.46 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.976 1.423 . . . . 1.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.54 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 38.8 m -53.84 -44.27 70.16 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.405 ' CG1' HD11 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -72.43 -28.09 27.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.001 1.438 . . . . 1.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.508 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 20.8 mtm180 -65.07 -43.45 92.19 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.957 1.411 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -59.84 -53.34 59.08 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.0 1.437 . . . . 1.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.484 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 5.1 m120 -69.26 -25.78 64.44 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.949 1.406 . . . . 1.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.586 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 11.7 tp -59.39 -50.93 72.05 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 1.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.563 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.1 t -77.94 -27.01 49.24 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.015 1.447 . . . . 1.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.2 mp -84.38 5.42 27.19 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.999 1.437 . . . . 1.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.415 ' OD1' ' OD2' ' A' ' 59' ' ' ASP . 14.6 t-20 -94.83 -83.37 0.35 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.031 1.457 . . . . 1.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.584 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 21.3 m-20 -79.55 -27.21 41.28 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.961 1.413 . . . . 1.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 75.34 33.67 0.67 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.997 1.436 . . . . 1.0 109.271 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -67.83 -176.17 0.63 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -112.51 125.75 69.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 125.04 1.462 . . . . 1.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -107.83 151.24 26.0 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.95 1.406 . . . . 1.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 1.3 mp -110.78 95.85 25.8 Favored Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 5.02 4.24 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.512 2.808 . . . . 1.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.86 83.15 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 . . . . . 0 C--O 1.24 0.578 0 O-C-N 125.007 1.442 . . . . 1.0 109.327 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 109.287 -1.525 . . . . 1.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.709 ' O ' HG22 ' A' ' 25' ' ' THR . 4.1 m-80 -153.73 -156.09 0.65 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.04 1.082 . . . . 1.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -155.77 112.75 3.22 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.005 1.44 . . . . 1.0 109.324 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 3.0 m0 -89.54 129.67 35.98 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.0 1.438 . . . . 1.0 109.276 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 48.9 p -114.44 141.77 47.24 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.029 1.456 . . . . 1.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.505 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -74.32 124.05 25.75 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.969 1.418 . . . . 1.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.55 0 O-C-N 125.041 1.463 . . . . 1.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 1.3 p . . . . . 0 C--O 1.24 0.573 0 CA-C-O 118.393 -0.813 . . . . 1.0 109.334 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.433 ' OH ' ' CB ' ' A' ' 50' ' ' SER . 3.6 m-85 -82.57 -68.37 0.71 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.959 1.412 . . . . 1.0 109.284 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 13' ' ' THR . 1.8 pp -45.98 -52.68 2.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.016 1.447 . . . . 1.0 109.316 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -52.15 -29.43 22.06 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.012 1.445 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.551 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -82.26 -55.12 4.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.963 1.414 . . . . 1.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.5 mp -51.43 -48.57 34.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 125.01 1.443 . . . . 1.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 9' ' ' ILE . 13.6 p -39.64 -41.72 1.09 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.989 1.43 . . . . 1.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.1 ttp -81.98 -36.84 27.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.015 1.447 . . . . 1.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -57.94 -30.57 66.06 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.003 1.44 . . . . 1.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.493 HG21 ' CD1' ' A' ' 79' ' ' LEU . 50.3 mm -71.34 -34.43 53.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.982 1.426 . . . . 1.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.39 -29.36 69.87 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.934 1.396 . . . . 1.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 12.1 mm-40 -44.73 -26.99 0.44 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.437 . . . . 1.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.414 ' OG ' HD22 ' A' ' 24' ' ' LEU . 24.6 m -100.06 106.06 39.17 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.012 1.445 . . . . 1.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.1 Cg_endo -75.04 1.42 7.78 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.539 2.826 . . . . 1.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -84.32 0.65 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.985 1.428 . . . . 1.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.82 40.5 0.0 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.0 1.438 . . . . 1.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.555 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -140.97 109.41 5.9 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.026 1.454 . . . . 1.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 HD11 ' O ' ' A' ' 15' ' ' ALA . 2.7 mm? -94.12 130.15 40.42 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.012 1.445 . . . . 1.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 75' ' ' ASN . 73.3 p -104.06 107.59 18.55 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.908 1.38 . . . . 1.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 4.1 tp -46.9 -30.12 2.37 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.982 1.426 . . . . 1.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.4 m -65.02 -44.14 90.17 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 1.0 109.252 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -78.8 -25.64 59.99 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 5.2 mm -60.55 -56.88 14.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 O-C-N 125.007 1.063 . . . . 1.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 t -66.23 -40.64 90.42 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.998 1.436 . . . . 1.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 11.8 tt0 -64.17 -38.27 90.47 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.985 1.428 . . . . 1.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.541 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -60.1 -56.62 19.41 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.996 1.435 . . . . 1.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.486 HG13 ' CE2' ' A' ' 32' ' ' PHE . 4.5 mt -66.06 -13.83 16.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.992 1.433 . . . . 1.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 t -82.69 -41.73 18.97 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.966 1.417 . . . . 1.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.541 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -82.27 -26.56 33.05 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.633 ' CG ' ' CE1' ' A' ' 37' ' ' PHE . 14.4 tpt180 -82.33 -43.06 17.93 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.997 1.435 . . . . 1.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CE1' ' CG ' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -129.59 86.1 56.67 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.034 1.459 . . . . 1.0 109.298 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.16 0.42 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.472 2.781 . . . . 1.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -64.02 -30.31 71.4 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.982 1.426 . . . . 1.0 109.282 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -51.17 34.17 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.997 1.436 . . . . 1.0 109.331 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -20.76 66.2 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.299 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -83.13 -26.38 31.02 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.021 1.451 . . . . 1.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -108.23 10.26 27.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.98 1.425 . . . . 1.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.576 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 65.7 t80 174.78 76.53 0.06 OUTLIER Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.016 1.448 . . . . 1.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 6.6 3.33 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.49 2.793 . . . . 1.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . . . -85.8 25.42 1.1 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.01 1.444 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.576 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 72.7 m95 -69.25 -57.03 5.88 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.951 1.407 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.482 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -46.88 -27.62 1.31 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.023 1.452 . . . . 1.0 109.304 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -82.27 -51.77 7.6 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.954 1.409 . . . . 1.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.433 ' CB ' ' OH ' ' A' ' 8' ' ' TYR . 22.0 p -64.56 -51.0 65.07 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.021 1.451 . . . . 1.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.565 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 2.8 pt -62.13 -35.8 70.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.979 1.424 . . . . 1.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 48' ' ' GLN . 9.4 mtt180 -51.08 -42.83 60.86 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.962 1.414 . . . . 1.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 57' ' ' LEU . 2.1 m-70 -81.55 -57.68 3.36 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.027 1.454 . . . . 1.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -51.85 -46.3 64.34 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.017 1.448 . . . . 1.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.63 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 22.4 tp -54.21 -52.2 62.02 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.028 1.455 . . . . 1.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 p -70.28 -34.82 73.23 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.991 1.432 . . . . 1.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' HIS . 1.2 mp -86.62 17.18 4.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.968 1.418 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.5 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 4.8 t-20 -100.13 -87.02 0.38 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.06 1.475 . . . . 1.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 41.8 m-20 -82.53 -34.57 27.83 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.052 1.47 . . . . 1.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 89.89 40.72 0.01 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.63 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -69.52 -175.8 0.89 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.983 1.427 . . . . 1.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 17.3 m -115.77 114.62 46.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.039 1.462 . . . . 1.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -104.38 147.0 28.03 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.008 1.442 . . . . 1.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.577 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -97.38 108.19 43.29 Favored Pre-proline 0 C--O 1.241 0.619 0 O-C-N 125.028 1.455 . . . . 1.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 12.81 1.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.557 2.838 . . . . 1.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 177.88 84.01 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.044 1.465 . . . . 1.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' A' ' 74' ' ' GLY . 7.8 pt-20 . . . . . 0 C--O 1.24 0.578 0 O-C-N 125.009 1.443 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.487 ' O ' ' OE1' ' A' ' 67' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.721 ' O ' HG22 ' A' ' 25' ' ' THR . 82.1 m-20 -120.09 -175.37 2.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.999 1.058 . . . . 1.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.487 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -146.85 90.11 1.88 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.963 1.414 . . . . 1.0 109.297 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.587 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 4.1 m0 -77.43 137.25 38.58 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.035 1.46 . . . . 1.0 109.27 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 18.7 m -114.02 134.53 54.8 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.493 ' CD1' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -72.31 135.64 46.01 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.995 1.434 . . . . 1.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 1.2 p30 . . . . . 0 C--O 1.24 0.587 0 O-C-N 124.997 1.436 . . . . 1.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.24 0.558 0 CA-C-O 118.35 -0.833 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -24.26 55.32 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.026 1.454 . . . . 1.0 109.288 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 mm -51.12 -40.0 21.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 125.011 1.444 . . . . 1.0 109.292 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.99 85.61 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.954 1.409 . . . . 1.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' HG ' ' CE2' ' A' ' 37' ' ' PHE . 7.0 mp -66.87 -39.45 87.52 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.014 1.446 . . . . 1.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.446 HD12 ' CD1' ' A' ' 55' ' ' LEU . 41.3 mm -55.46 -45.99 78.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.975 1.422 . . . . 1.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -45.37 -40.21 7.7 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.936 1.397 . . . . 1.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 36' ' ' ARG . 42.8 ttp -80.81 -35.02 33.56 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.998 1.436 . . . . 1.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.566 ' HA ' ' CE1' ' A' ' 32' ' ' PHE . . . -60.1 -54.03 50.79 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.015 1.447 . . . . 1.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -64.29 -41.23 91.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.415 . . . . 1.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.85 -37.96 64.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.955 1.41 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -52.01 -20.33 2.35 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.024 1.453 . . . . 1.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.47 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 66.3 m -114.4 81.81 7.04 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.004 1.44 . . . . 1.0 109.304 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.5 Cg_endo -75.05 3.01 6.02 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.505 2.804 . . . . 1.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -110.26 -77.98 0.59 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.004 1.44 . . . . 1.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 5.6 mtmm 163.55 44.32 0.0 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.002 1.439 . . . . 1.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 95.7 3.13 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.032 1.457 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 3.7 mt -119.52 114.82 22.85 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.949 1.405 . . . . 1.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.857 HG22 ' O ' ' A' ' 75' ' ' ASN . 19.7 p -102.87 115.18 30.1 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.022 1.451 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' CD2' ' CZ ' ' A' ' 52' ' ' ARG . 1.3 tp -43.96 -35.16 1.93 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.967 1.417 . . . . 1.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -70.32 -41.23 73.54 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.959 1.412 . . . . 1.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.09 -20.32 70.35 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 109.304 -1.518 . . . . 1.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.2 mp -78.98 -45.77 24.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.97 1.041 . . . . 1.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -60.63 -44.11 96.73 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.009 1.443 . . . . 1.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.37 -23.87 64.72 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.007 1.442 . . . . 1.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -74.08 -45.36 49.79 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.968 1.417 . . . . 1.0 109.345 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -50.19 71.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.972 1.42 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 84.8 p -56.62 -23.46 41.15 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.982 1.426 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -75.45 -51.96 11.82 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.003 1.439 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HG3' ' CE ' ' A' ' 14' ' ' MET . 12.9 mmt180 -75.77 -51.04 13.52 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.952 1.408 . . . . 1.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CE2' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -115.54 80.9 8.4 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.06 -33.73 4.3 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.535 2.823 . . . . 1.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 2.5 m-85 -75.73 -25.48 56.63 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.623 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -62.21 -51.78 66.4 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 1.0 109.29 -179.349 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 34' ' ' SER . 0.3 OUTLIER -73.63 -29.12 62.16 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.997 1.436 . . . . 1.0 109.304 -179.53 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.74 -13.74 58.72 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.036 1.46 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -121.2 11.2 10.81 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.006 1.441 . . . . 1.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.792 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.9 t80 179.77 65.1 0.13 Allowed Pre-proline 0 C--O 1.24 0.601 0 O-C-N 124.98 1.425 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -75.0 -14.91 20.99 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.531 2.821 . . . . 1.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.49 -10.68 59.8 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.958 1.411 . . . . 1.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.792 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -89.03 12.34 15.81 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.982 1.426 . . . . 1.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.84 -49.27 73.45 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.973 1.421 . . . . 1.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -82.28 -36.79 26.7 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.417 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 20.0 p -57.26 -54.57 45.34 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.965 1.416 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 tt -54.71 -30.14 22.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.005 1.44 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.549 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 1.1 mtm180 -70.58 -39.99 73.54 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.972 1.42 . . . . 1.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 1.9 m170 -61.82 -59.69 4.77 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.0 1.438 . . . . 1.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -61.8 -26.11 67.9 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.943 1.402 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.446 ' CD1' HD12 ' A' ' 12' ' ' ILE . 1.1 tp -62.63 -49.26 75.88 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.98 1.425 . . . . 1.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.5 t -83.54 -17.56 41.42 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.437 . . . . 1.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 mp -83.74 -21.85 32.13 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.028 1.455 . . . . 1.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -87.31 -79.3 0.28 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.973 1.421 . . . . 1.0 109.316 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.737 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 3.8 m-20 -56.98 -51.27 69.87 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.991 1.432 . . . . 1.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 81.36 46.13 0.03 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.967 1.417 . . . . 1.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.737 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -88.25 -178.48 5.93 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.059 1.474 . . . . 1.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 78' ' ' THR . 75.2 t -117.4 127.36 74.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 1.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.609 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -102.69 165.09 11.26 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.017 1.448 . . . . 1.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 67' ' ' GLU . 1.1 pt -114.49 83.58 8.84 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 124.949 1.406 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.0 16.62 0.64 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.517 2.811 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 175.76 88.02 0.01 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.984 1.428 . . . . 1.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.568 0 O-C-N 124.946 1.404 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 109.32 -1.512 . . . . 1.0 109.32 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.857 ' O ' HG22 ' A' ' 25' ' ' THR . 6.4 m-80 -146.56 -160.61 1.18 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.046 1.086 . . . . 1.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 38.2 m-85 -145.84 86.27 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.952 1.407 . . . . 1.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.609 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 5.8 m0 -81.64 125.92 31.14 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.272 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 40.8 p -120.31 143.45 48.36 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.971 1.42 . . . . 1.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -71.08 135.44 47.71 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.957 1.411 . . . . 1.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.57 0 O-C-N 125.018 1.449 . . . . 1.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.455 ' C ' HD13 ' A' ' 11' ' ' LEU . 1.5 t . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.373 -0.822 . . . . 1.0 109.258 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.793 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 52.7 p90 -51.44 -23.43 3.88 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.532 HD11 ' CE2' ' A' ' 8' ' ' TYR . 35.7 mm -67.61 -33.44 62.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.969 1.418 . . . . 1.0 109.357 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.91 3.25 16.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.017 1.448 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.793 ' HB2' ' HA ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -81.76 -42.74 19.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 1.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 1.1 mp -41.91 -33.66 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.991 1.432 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 m -53.17 -36.48 60.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.076 1.485 . . . . 1.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 mtm -81.19 -43.66 18.97 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -57.42 -28.21 63.07 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.974 1.421 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.534 HD11 ' CE2' ' A' ' 61' ' ' PHE . 35.3 mm -85.47 -50.97 14.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.973 1.421 . . . . 1.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -63.13 -41.84 99.4 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.973 1.421 . . . . 1.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -47.85 -24.85 1.1 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -67.82 114.93 22.97 Favored Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.971 1.42 . . . . 1.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.51 8.82 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.517 2.811 . . . . 1.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -140.2 -84.53 0.23 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.013 1.446 . . . . 1.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 176.23 35.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.993 1.433 . . . . 1.0 109.37 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 24.5 mttp -144.88 113.39 6.65 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.972 1.42 . . . . 1.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -115.63 130.06 56.72 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.039 1.462 . . . . 1.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.783 HG22 ' O ' ' A' ' 75' ' ' ASN . 40.0 p -90.95 112.99 25.11 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.033 1.458 . . . . 1.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -44.58 -25.9 0.31 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.98 1.425 . . . . 1.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.0 m -64.9 -47.39 77.98 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.005 1.441 . . . . 1.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.43 -19.0 69.84 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.501 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 24.7 mm -75.55 -52.92 17.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.001 1.06 . . . . 1.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.4 p -57.59 -34.79 69.61 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.977 1.423 . . . . 1.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -81.81 -30.56 32.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.972 1.42 . . . . 1.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -62.68 -43.55 98.53 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.456 . . . . 1.0 109.278 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.491 HG23 ' CD2' ' A' ' 37' ' ' PHE . 3.1 mt -71.95 -47.71 54.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.27 -26.34 0.78 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.049 1.468 . . . . 1.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.52 -38.52 91.3 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.943 1.402 . . . . 1.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ILE . 5.6 mmp_? -82.67 -40.86 20.13 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.044 1.465 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.513 ' CZ ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -123.91 81.22 56.32 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.034 1.459 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -37.76 1.94 Allowed 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.488 2.792 . . . . 1.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.487 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -79.46 -2.55 42.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.959 1.412 . . . . 1.0 109.324 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.744 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 1.1 t80 -85.73 -47.33 9.87 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.974 1.421 . . . . 1.0 109.261 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -74.32 -50.58 18.19 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.972 1.42 . . . . 1.0 109.352 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.487 ' CG ' ' HA ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -60.65 -14.47 20.84 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.994 1.434 . . . . 1.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -123.5 16.16 9.63 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.994 1.434 . . . . 1.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.754 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.6 t80 178.77 64.34 0.11 Allowed Pre-proline 0 C--O 1.24 0.605 0 O-C-N 124.988 1.43 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -75.01 -10.41 21.18 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.463 2.775 . . . . 1.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.55 -21.12 61.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.96 1.412 . . . . 1.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.754 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -81.96 0.89 37.96 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.029 1.456 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -56.32 -40.68 74.78 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.964 1.415 . . . . 1.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -82.67 -31.66 28.53 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.002 1.439 . . . . 1.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.8 p -58.93 -53.24 60.62 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.493 ' CD1' ' CB ' ' A' ' 8' ' ' TYR . 1.8 tt -57.59 -27.95 30.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.947 1.404 . . . . 1.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -75.9 -35.01 59.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.967 1.417 . . . . 1.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -63.97 -57.3 10.14 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.948 1.405 . . . . 1.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -53.56 -26.11 19.99 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.499 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 8.0 tp -72.49 -47.46 48.46 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.994 1.434 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.531 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.2 t -83.11 -13.52 55.49 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.982 1.426 . . . . 1.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.6 mm? -88.04 -19.04 27.66 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.06 1.475 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -88.91 -79.92 0.3 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.021 1.451 . . . . 1.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.638 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -63.6 -48.77 76.01 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.012 1.445 . . . . 1.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 80.59 26.93 0.26 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.034 1.459 . . . . 1.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.663 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -64.78 -168.04 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.968 1.417 . . . . 1.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.12 144.15 18.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -132.31 158.37 42.05 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 1.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.576 ' CD1' ' CE2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -118.39 78.89 14.79 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 125.03 1.456 . . . . 1.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 18.0 Cg_endo -75.06 22.82 0.41 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.484 2.789 . . . . 1.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 64' ' ' ILE . 0.6 OUTLIER 175.53 72.98 0.01 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.012 1.445 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 C--O 1.24 0.567 0 O-C-N 124.995 1.434 . . . . 1.0 109.293 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.783 ' O ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -141.59 -150.12 0.3 Allowed 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.95 1.029 . . . . 1.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.576 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -153.55 133.07 12.9 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.021 1.45 . . . . 1.0 109.318 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 6.9 m0 -111.65 133.79 53.66 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.036 1.46 . . . . 1.0 109.3 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 75.0 p -104.53 -144.44 0.37 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.037 1.461 . . . . 1.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.663 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -141.96 124.5 15.81 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.015 1.447 . . . . 1.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.548 0 O-C-N 124.968 1.418 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 4.9 m . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.426 -0.797 . . . . 1.0 109.234 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' LEU . 37.6 m-85 -81.85 -71.0 0.5 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.281 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.458 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -43.59 -29.28 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 125.029 1.456 . . . . 1.0 109.29 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 7' ' ' SER . . . -69.63 -48.86 58.49 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.977 1.423 . . . . 1.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.544 ' HG ' HD12 ' A' ' 12' ' ' ILE . 1.9 pp -78.74 -25.13 44.5 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.544 HD12 ' HG ' ' A' ' 11' ' ' LEU . 1.2 mp -80.28 -41.71 20.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.3 m -51.43 -39.26 57.0 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.046 1.466 . . . . 1.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.4 ptt? -75.35 -31.2 60.47 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.077 1.486 . . . . 1.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.613 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -63.88 -52.47 59.83 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.036 1.46 . . . . 1.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.4 -45.26 93.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 125.019 1.449 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.02 -31.58 70.07 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.038 1.461 . . . . 1.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.579 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -49.63 -22.0 1.19 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.947 1.405 . . . . 1.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -110.65 92.94 15.27 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.967 1.417 . . . . 1.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.02 10.3 1.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.514 2.809 . . . . 1.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -117.06 -79.32 0.59 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.968 1.417 . . . . 1.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HB3' HG23 ' A' ' 78' ' ' THR . 8.7 mttt 163.96 39.54 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 1.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.99 111.12 7.84 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.442 . . . . 1.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 16' ' ' ILE . 3.6 mt -121.67 117.08 25.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.968 1.418 . . . . 1.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 75' ' ' ASN . 15.3 p -101.07 116.81 33.71 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.998 1.436 . . . . 1.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.681 HD11 ' CG ' ' A' ' 52' ' ' ARG . 4.4 tt -47.59 -38.56 14.71 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.964 1.415 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -61.98 -44.69 96.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.922 1.389 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -73.71 -39.72 47.67 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.37 -51.31 65.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 125.031 1.077 . . . . 1.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 t -56.35 -51.7 67.29 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.039 1.462 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -65.66 -26.79 67.95 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.007 1.442 . . . . 1.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -69.27 -39.51 78.35 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.518 HD13 ' CE2' ' A' ' 32' ' ' PHE . 39.0 mm -65.28 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.45 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.9 p -48.02 -22.64 0.63 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.033 1.458 . . . . 1.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -59.29 -37.87 78.76 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.007 1.442 . . . . 1.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD2' ' SD ' ' A' ' 14' ' ' MET . 0.6 OUTLIER -136.46 17.69 3.14 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.024 1.453 . . . . 1.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.707 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 2.2 m-85 -141.08 51.0 2.15 Favored Pre-proline 0 C--O 1.24 0.557 0 O-C-N 124.949 1.406 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.707 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -75.04 -47.54 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.524 2.816 . . . . 1.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -62.66 -18.65 62.73 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.004 1.44 . . . . 1.0 109.314 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.481 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -82.4 -51.59 7.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.004 1.44 . . . . 1.0 109.296 -179.336 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -62.02 -48.11 81.75 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 1.0 109.313 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' A' ' 39' ' ' TYR . 10.1 pt-20 -65.88 -18.84 65.61 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.978 1.424 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -93.45 -34.04 13.57 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.996 1.435 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.822 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -149.34 73.53 9.93 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 124.97 1.419 . . . . 1.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -13.11 21.49 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.491 2.794 . . . . 1.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.87 -16.86 42.86 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.03 1.456 . . . . 1.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.822 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -79.85 11.87 3.02 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.981 1.425 . . . . 1.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.29 -50.38 73.11 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.011 1.444 . . . . 1.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 15.8 t-20 -74.64 -36.69 62.89 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.002 1.439 . . . . 1.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -48.06 -42.67 29.19 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.06 1.475 . . . . 1.0 109.324 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 3.1 mt -72.79 -30.16 32.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 125.012 1.445 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.681 ' CG ' HD11 ' A' ' 26' ' ' LEU . 6.7 mtp180 -56.66 -47.06 80.62 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.021 1.451 . . . . 1.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.541 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -57.6 -57.46 12.62 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.996 1.435 . . . . 1.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -32.8 71.58 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.977 1.423 . . . . 1.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.561 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -55.27 -54.56 41.97 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.942 1.401 . . . . 1.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.6 t -77.94 -31.63 51.09 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.02 1.45 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 6.0 mp -82.62 19.74 1.24 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.981 1.425 . . . . 1.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -103.63 -87.11 0.43 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.945 1.403 . . . . 1.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.638 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 9.4 m-20 -85.43 -36.62 20.52 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.985 1.428 . . . . 1.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 22.1 m 90.51 55.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.021 1.451 . . . . 1.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.11 -167.64 0.42 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.037 1.461 . . . . 1.0 109.326 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.9 m -127.94 118.54 48.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.024 1.452 . . . . 1.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.545 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 8.8 ttpp -90.13 146.3 24.4 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.023 1.452 . . . . 1.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 1.1 pt -115.86 79.29 7.83 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.964 1.415 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.43 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -74.97 18.0 0.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.525 2.817 . . . . 1.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 175.56 84.45 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.947 1.405 . . . . 1.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.598 0 O-C-N 124.988 1.43 . . . . 1.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.562 ' O ' HG22 ' A' ' 25' ' ' THR . 15.2 m-80 -158.17 -173.26 4.25 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.99 1.053 . . . . 1.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.418 ' CD2' HD11 ' A' ' 64' ' ' ILE . 6.1 m-85 -133.79 95.99 3.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.962 1.414 . . . . 1.0 109.245 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.554 ' CZ2' HD12 ' A' ' 26' ' ' LEU . 7.3 m0 -83.02 129.52 35.04 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.042 1.464 . . . . 1.0 109.306 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 22' ' ' LYS . 27.2 m -124.86 143.41 50.85 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.986 1.429 . . . . 1.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.64 121.55 17.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.005 1.44 . . . . 1.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--O 1.24 0.573 0 O-C-N 125.031 1.457 . . . . 1.0 109.32 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.555 0 CA-C-O 118.401 -0.809 . . . . 1.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -63.8 -61.73 2.11 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.73 ' O ' HG23 ' A' ' 13' ' ' THR . 41.6 pt -55.53 -44.42 76.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.007 1.442 . . . . 1.0 109.293 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -55.58 -27.89 51.89 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' A' ' 37' ' ' PHE . 7.1 tt -82.4 -53.03 6.33 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.423 . . . . 1.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.9 mm -48.5 -47.36 14.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.991 1.432 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 9' ' ' ILE . 26.8 p -42.95 -36.0 1.4 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.001 1.438 . . . . 1.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -35.9 28.26 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.974 1.421 . . . . 1.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -64.0 -44.39 92.8 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.955 1.409 . . . . 1.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.502 HD11 ' CD1' ' A' ' 79' ' ' LEU . 5.9 tp -59.1 -45.85 92.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.455 . . . . 1.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -34.2 10.96 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.011 1.444 . . . . 1.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 20.4 mm100 -47.24 -32.99 5.01 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.028 1.455 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.432 ' OG ' ' HG ' ' A' ' 24' ' ' LEU . 93.9 p -114.25 86.99 12.66 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.0 1.437 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.97 19.46 0.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.486 2.791 . . . . 1.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 mm-40 -128.46 -87.52 0.55 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.96 1.413 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -178.71 41.27 0.0 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.009 1.443 . . . . 1.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -140.32 103.1 4.5 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.99 1.432 . . . . 1.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' CD2' HD11 ' A' ' 29' ' ' ILE . 6.6 mt -106.14 132.82 51.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.009 1.443 . . . . 1.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 75' ' ' ASN . 69.9 p -120.47 93.94 4.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.946 1.404 . . . . 1.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 55' ' ' LEU . 2.5 tm? -42.84 -34.58 0.97 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.033 1.458 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.2 p -58.99 -46.75 87.38 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 1.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -73.63 -39.75 48.22 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.288 -1.525 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.495 HD11 ' CD2' ' A' ' 24' ' ' LEU . 1.8 mp -56.02 -44.66 79.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 125.002 1.06 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.403 ' SG ' ' OE1' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -58.62 -43.98 89.82 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.01 1.443 . . . . 1.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.12 -31.49 72.38 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.964 1.415 . . . . 1.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.513 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -70.49 -49.88 43.77 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.957 1.411 . . . . 1.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.513 HG13 ' CE2' ' A' ' 32' ' ' PHE . 1.9 mt -64.08 -53.49 43.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.993 1.433 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.4 m -44.37 -33.03 1.5 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.952 1.408 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -79.41 -37.77 36.38 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.993 1.433 . . . . 1.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 4.3 mpt_? -74.7 -43.77 53.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.994 1.434 . . . . 1.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CE1' HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -128.77 83.33 66.52 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.56 5.27 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.563 2.842 . . . . 1.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.38 -28.35 59.46 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.989 1.431 . . . . 1.0 109.274 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.606 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -61.61 -54.61 40.6 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.0 1.438 . . . . 1.0 109.284 -179.304 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -32.93 72.05 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.97 1.419 . . . . 1.0 109.298 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.47 -5.59 58.79 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.062 1.476 . . . . 1.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -109.04 -47.71 3.39 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.979 1.424 . . . . 1.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.774 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -135.71 74.58 58.39 Favored Pre-proline 0 C--O 1.24 0.596 0 O-C-N 125.016 1.447 . . . . 1.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -10.92 21.26 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.492 2.794 . . . . 1.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.47 -9.99 59.59 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.97 1.419 . . . . 1.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.774 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -87.03 18.46 3.57 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.028 1.455 . . . . 1.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.5 tp60 -61.45 -48.63 80.28 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.987 1.429 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 9.5 t-20 -83.72 -27.77 28.73 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.944 1.403 . . . . 1.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -54.74 -47.98 73.15 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.013 1.446 . . . . 1.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 48' ' ' GLN . 7.8 tt -65.1 -34.16 68.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.959 1.412 . . . . 1.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.468 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.57 -48.16 81.85 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.977 1.423 . . . . 1.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.455 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.1 t60 -52.91 -48.71 67.03 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.998 1.437 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 58' ' ' ASN . 22.7 m120 -72.55 -29.7 63.8 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.043 1.464 . . . . 1.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.597 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -54.72 -52.67 61.74 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.019 1.45 . . . . 1.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -76.57 -31.6 57.64 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.013 1.445 . . . . 1.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 53' ' ' HIS . 4.5 mm? -84.86 12.23 7.81 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.971 1.419 . . . . 1.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.464 ' ND2' ' CG2' ' A' ' 12' ' ' ILE . 13.2 t30 -97.27 -77.88 0.49 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.952 1.408 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.752 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.2 m-20 -75.79 -60.6 2.24 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.993 1.433 . . . . 1.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.685 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 21.7 p 128.55 44.25 0.0 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.997 1.435 . . . . 1.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.752 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -104.63 179.83 4.16 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -121.77 164.15 19.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.98 1.425 . . . . 1.0 109.268 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.08 163.88 19.67 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.982 1.426 . . . . 1.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pp -114.07 85.45 10.15 Favored Pre-proline 0 C--O 1.239 0.533 0 O-C-N 124.982 1.426 . . . . 1.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.01 44.68 1.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.515 2.81 . . . . 1.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.31 86.1 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.583 0 O-C-N 124.999 1.437 . . . . 1.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.611 ' O ' HG22 ' A' ' 25' ' ' THR . 7.5 m120 -137.38 -175.45 4.07 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.026 1.074 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 23' ' ' LYS . 8.3 m-85 -134.91 101.92 5.06 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.982 1.426 . . . . 1.0 109.318 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.533 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 8.3 m0 -93.21 141.95 27.85 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.009 1.443 . . . . 1.0 109.27 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 41.5 p -121.62 145.99 47.44 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.038 1.461 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.528 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -85.6 146.08 27.04 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.983 1.427 . . . . 1.0 109.268 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.557 0 O-C-N 124.965 1.416 . . . . 1.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.587 0 CA-C-O 118.398 -0.81 . . . . 1.0 109.337 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.495 ' CE1' HG22 ' A' ' 51' ' ' ILE . 47.1 m-85 -64.64 -42.93 95.11 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.993 1.433 . . . . 1.0 109.265 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 13' ' ' THR . 39.3 pt -49.23 -38.63 11.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.986 1.429 . . . . 1.0 109.294 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.96 -26.7 39.91 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -50.16 12.29 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.03 1.456 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.7 mp -53.94 -54.45 20.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.966 1.416 . . . . 1.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 9' ' ' ILE . 8.2 p -44.44 -35.04 2.25 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.038 1.461 . . . . 1.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.419 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.4 tmm? -82.4 -30.07 30.44 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.019 1.45 . . . . 1.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -76.51 -33.34 58.63 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.033 1.458 . . . . 1.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.451 HD11 ' CE2' ' A' ' 61' ' ' PHE . 48.4 mm -64.24 -45.56 95.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.006 1.441 . . . . 1.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -59.88 -29.49 68.35 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 1.0 109.27 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 28.3 mm-40 -42.35 -34.43 0.8 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.025 1.453 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 23' ' ' LYS . 14.7 m -109.77 101.17 45.77 Favored Pre-proline 0 C--O 1.24 0.59 0 O-C-N 125.009 1.443 . . . . 1.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 12.52 1.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.485 2.79 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.7 mt-30 -118.89 -85.83 0.65 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.974 1.421 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.563 ' O ' HG22 ' A' ' 78' ' ' THR . 3.9 ttpp 174.64 41.1 0.0 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.984 1.427 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' A' ' 19' ' ' SER . 4.8 mtmm -140.94 106.82 5.14 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.98 1.425 . . . . 1.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 2.2 mt -115.97 121.09 41.24 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.039 1.462 . . . . 1.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 75' ' ' ASN . 25.8 p -102.05 105.91 16.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.998 1.436 . . . . 1.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 3.8 tt -42.86 -35.52 1.21 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.016 1.447 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.9 p -58.58 -48.78 79.78 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.443 . . . . 1.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -16.21 80.89 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.476 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 6.1 mm -79.31 -54.1 12.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 125.014 1.067 . . . . 1.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.5 p -55.59 -41.36 73.28 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.023 1.452 . . . . 1.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -74.0 -27.48 60.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.016 1.448 . . . . 1.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -66.12 -38.94 89.4 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.962 1.413 . . . . 1.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' A' ' 37' ' ' PHE . 2.8 mt -70.19 -57.03 9.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.474 ' HB2' ' CD ' ' A' ' 41' ' ' ARG . 92.2 p -44.39 -29.49 0.69 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.982 1.426 . . . . 1.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 76.1 m-20 -61.14 -44.29 97.56 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.007 1.442 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.591 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 31.5 mmt-85 -78.68 -40.8 32.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.039 1.462 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -130.26 81.21 68.97 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 125.017 1.448 . . . . 1.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -25.79 11.48 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.492 2.795 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.51 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 33.3 p90 -81.74 -15.42 54.39 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.991 1.432 . . . . 1.0 109.33 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -80.81 -50.95 9.18 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.474 ' CD ' ' HB2' ' A' ' 34' ' ' SER . 0.0 OUTLIER -57.26 -35.27 69.54 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.985 1.428 . . . . 1.0 109.332 -179.573 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.492 ' CG ' ' HA ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -84.1 -6.79 59.46 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 4.6 mmtp -114.78 11.04 16.67 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.959 1.412 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.826 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.9 t80 179.43 68.16 0.13 Allowed Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.998 1.436 . . . . 1.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.36 20.36 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.492 2.795 . . . . 1.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.59 -15.4 63.52 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.826 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -84.24 4.88 28.83 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.986 1.429 . . . . 1.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.433 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -56.38 -47.97 77.83 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.987 1.43 . . . . 1.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -82.28 -25.31 34.15 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.954 1.409 . . . . 1.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.526 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 8.3 t -56.6 -50.87 70.7 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.495 HG22 ' CE1' ' A' ' 8' ' ' TYR . 29.1 pt -57.74 -40.84 77.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.93 1.394 . . . . 1.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.44 ' N ' HG13 ' A' ' 51' ' ' ILE . 12.0 ttm180 -60.02 -47.66 84.92 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.036 1.46 . . . . 1.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -53.91 -52.14 61.5 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 1.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 3.1 t-20 -69.7 -26.36 64.32 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.971 1.419 . . . . 1.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.598 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -55.02 -53.67 52.89 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 1.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 t -79.05 -24.95 43.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.017 1.448 . . . . 1.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -83.59 21.39 1.23 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.013 1.445 . . . . 1.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 2.8 m-80 -112.26 -85.54 0.57 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.058 1.474 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.672 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -84.64 -22.66 29.82 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.006 1.442 . . . . 1.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 1.4 m 74.87 41.76 0.3 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.963 1.414 . . . . 1.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.672 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -77.43 -176.99 4.45 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.068 1.48 . . . . 1.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -108.96 127.03 65.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.949 1.406 . . . . 1.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -113.99 150.5 33.76 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.003 1.439 . . . . 1.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 67' ' ' GLU . 1.8 pp -99.68 106.03 37.68 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 124.974 1.421 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.493 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -4.69 15.77 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.494 2.796 . . . . 1.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 17.3 ttt180 170.6 85.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.967 1.417 . . . . 1.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.509 ' HB2' HD13 ' A' ' 64' ' ' ILE . 2.9 tp10 . . . . . 0 C--O 1.24 0.553 0 O-C-N 125.001 1.438 . . . . 1.0 109.329 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.833 ' O ' HG22 ' A' ' 25' ' ' THR . 1.3 m120 -115.64 -161.57 0.79 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.991 1.053 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -142.45 103.69 4.29 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.974 1.421 . . . . 1.0 109.28 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.57 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 8.3 m95 -105.76 115.26 29.93 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.043 1.464 . . . . 1.0 109.265 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 22' ' ' LYS . 72.7 p -117.52 142.55 47.03 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.011 1.444 . . . . 1.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.563 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 2.5 mp -70.93 124.83 25.26 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.024 1.452 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.578 0 O-C-N 124.959 1.412 . . . . 1.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.586 0 CA-C-O 118.404 -0.807 . . . . 1.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -80.59 -58.82 2.93 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 1.0 109.273 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -45.26 -38.83 2.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.004 1.44 . . . . 1.0 109.32 -179.528 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -66.45 -37.66 85.63 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.977 1.423 . . . . 1.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 1.8 mm? -73.86 -47.18 40.08 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.433 . . . . 1.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.8 mp -60.69 -40.97 86.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.983 1.427 . . . . 1.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -42.13 -44.61 3.72 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.945 1.403 . . . . 1.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.1 ttp -82.03 -30.21 31.57 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.514 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -60.39 -38.97 85.63 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.984 1.428 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -78.68 -45.16 25.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.994 1.434 . . . . 1.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.44 -30.56 5.22 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.96 1.413 . . . . 1.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -45.94 -29.07 1.28 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.05 1.469 . . . . 1.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.435 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 89.3 p -114.56 87.62 14.54 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.71 8.58 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.502 2.802 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -87.56 0.49 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.422 . . . . 1.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.82 39.28 0.0 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.037 1.46 . . . . 1.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 8.3 tttt -139.91 111.91 7.52 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.956 1.41 . . . . 1.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -122.66 137.68 54.83 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.976 HG22 ' O ' ' A' ' 75' ' ' ASN . 81.3 p -123.66 105.47 9.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 2.9 tm? -47.53 -39.74 17.03 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.014 1.446 . . . . 1.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.7 p -62.14 -40.92 97.58 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 1.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.43 -20.92 65.57 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.257 -1.537 . . . . 1.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.4 mm -77.28 -51.8 17.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 124.954 1.032 . . . . 1.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.7 p -57.8 -36.97 72.94 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.012 1.445 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.05 -34.0 70.82 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.01 1.444 . . . . 1.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.62 -51.91 65.45 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.004 1.44 . . . . 1.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.538 HG13 ' CE2' ' A' ' 32' ' ' PHE . 2.4 mt -60.37 -29.64 44.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.964 1.415 . . . . 1.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 p -71.24 -35.44 71.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.004 1.44 . . . . 1.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.28 -40.9 25.98 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.928 1.393 . . . . 1.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.544 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 3.6 tpt180 -75.88 -52.07 11.13 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.976 1.423 . . . . 1.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -119.03 80.19 18.43 Favored Pre-proline 0 C--O 1.24 0.591 0 O-C-N 125.021 1.451 . . . . 1.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.0 -34.46 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.526 2.817 . . . . 1.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.8 -16.47 59.44 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.051 1.469 . . . . 1.0 109.317 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.673 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -75.88 -51.63 12.08 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.023 1.452 . . . . 1.0 109.292 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -77.29 -35.79 54.76 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.942 1.401 . . . . 1.0 109.297 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 1.7 tt0 -58.7 -21.0 53.57 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 1.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -106.76 -29.21 9.69 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.004 1.44 . . . . 1.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.725 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -134.53 70.0 72.4 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.99 1.432 . . . . 1.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.25 20.69 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.514 2.809 . . . . 1.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.86 -24.94 33.02 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 1.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -74.06 -7.73 53.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.001 1.438 . . . . 1.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.43 ' O ' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.2 -34.56 32.34 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.009 1.443 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -83.88 -35.16 24.33 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.024 1.452 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -52.54 65.3 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.963 1.414 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -48.22 -39.19 8.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.985 1.428 . . . . 1.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -66.67 -39.93 88.38 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.952 1.407 . . . . 1.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -62.56 -54.82 33.99 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.055 1.472 . . . . 1.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.492 ' C ' HD21 ' A' ' 54' ' ' ASN . 0.1 OUTLIER -63.4 -31.95 73.24 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.99 1.431 . . . . 1.0 109.33 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.579 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 45.8 tp -56.56 -54.08 50.1 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.991 1.432 . . . . 1.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.543 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.3 t -74.5 -26.02 59.74 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.995 1.435 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.53 13.87 6.32 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.964 1.415 . . . . 1.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.457 ' OD1' ' OD2' ' A' ' 59' ' ' ASP . 15.5 t-20 -101.16 -84.18 0.44 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.975 1.422 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.604 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 16.3 m-20 -80.25 -20.84 43.59 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.001 1.438 . . . . 1.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 1.5 m 73.41 35.46 0.89 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.944 1.403 . . . . 1.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.685 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -72.76 -173.79 1.28 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -108.44 155.24 9.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.002 1.439 . . . . 1.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.571 ' CB ' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.8 160.37 31.08 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.984 1.427 . . . . 1.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.573 ' CD1' ' CD2' ' A' ' 76' ' ' TYR . 18.5 mt -97.18 107.86 40.7 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.969 1.418 . . . . 1.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.02 -21.74 15.5 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.48 2.787 . . . . 1.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 174.53 77.2 0.0 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.029 1.456 . . . . 1.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.239 0.547 0 O-C-N 124.956 1.41 . . . . 1.0 109.297 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.976 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER -138.72 -175.21 4.06 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.041 . . . . 1.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.573 ' CD2' ' CD1' ' A' ' 64' ' ' ILE . 5.5 m-85 -132.76 83.73 2.09 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.964 1.415 . . . . 1.0 109.312 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.571 ' CE2' ' CB ' ' A' ' 63' ' ' LYS . 9.2 m0 -80.72 135.44 36.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.99 1.431 . . . . 1.0 109.298 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.555 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 45.6 p -107.56 -150.34 0.45 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.994 1.433 . . . . 1.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.685 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -144.12 108.19 4.75 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.943 1.402 . . . . 1.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 1.4 p30 . . . . . 0 C--O 1.24 0.577 0 O-C-N 124.984 1.427 . . . . 1.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 1.5 m . . . . . 0 C--O 1.239 0.542 0 CA-C-O 118.377 -0.821 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.521 ' CE2' ' CZ3' ' A' ' 47' ' ' TRP . 88.1 m-85 -58.36 -40.47 82.3 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.983 1.427 . . . . 1.0 109.298 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -54.12 -35.27 28.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.968 1.417 . . . . 1.0 109.279 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . -68.49 -36.65 79.23 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.986 1.429 . . . . 1.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.536 HD12 ' CE2' ' A' ' 37' ' ' PHE . 3.3 mm? -71.35 -44.24 65.43 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.033 1.458 . . . . 1.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' ALA . 40.5 mm -62.29 -51.49 71.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 124.993 1.433 . . . . 1.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -40.17 -42.18 1.42 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.951 1.407 . . . . 1.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 36' ' ' ARG . 7.8 ttp -80.01 -36.49 35.84 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.974 1.422 . . . . 1.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . . . -64.06 -59.14 4.83 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.035 1.459 . . . . 1.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.508 HD12 ' CD2' ' A' ' 24' ' ' LEU . 8.6 tp -53.84 -38.49 36.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.553 0 O-C-N 124.989 1.431 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.96 -39.75 93.21 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.035 1.459 . . . . 1.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -49.66 -25.18 2.66 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 1.0 109.251 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.449 ' OG ' HD13 ' A' ' 24' ' ' LEU . 30.2 m -115.21 83.4 10.09 Favored Pre-proline 0 C--O 1.24 0.592 0 O-C-N 124.961 1.413 . . . . 1.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.02 12.63 1.18 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.528 2.819 . . . . 1.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -109.34 -79.34 0.58 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.989 1.431 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 3.0 pttt 163.49 48.61 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.024 1.453 . . . . 1.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -143.3 107.88 4.84 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.001 1.438 . . . . 1.0 109.286 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.508 ' CD2' HD12 ' A' ' 16' ' ' ILE . 2.7 mm? -126.18 101.88 6.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.984 1.427 . . . . 1.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.954 HG22 ' O ' ' A' ' 75' ' ' ASN . 29.0 p -85.46 108.13 17.74 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.003 1.439 . . . . 1.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.504 HD12 ' CH2' ' A' ' 77' ' ' TRP . 7.4 tt -42.1 -33.12 0.54 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.02 1.45 . . . . 1.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 m -64.68 -44.45 90.3 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 1.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.26 -20.65 74.85 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.301 -1.519 . . . . 1.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 4.9 mm -63.18 -51.97 64.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.989 1.052 . . . . 1.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.7 t -64.88 -47.73 76.8 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.997 1.436 . . . . 1.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 2.2 pt-20 -65.21 -29.97 70.82 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.041 1.463 . . . . 1.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 15' ' ' ALA . 2.1 t80 -62.21 -50.03 73.39 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.982 1.427 . . . . 1.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 51' ' ' ILE . 1.3 mt -63.51 -16.69 18.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.989 1.43 . . . . 1.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -41.13 18.24 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.967 1.417 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.548 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -85.68 16.69 3.77 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.015 1.447 . . . . 1.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' CE ' ' A' ' 14' ' ' MET . 11.9 mmt-85 -141.35 -47.49 0.39 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.014 1.446 . . . . 1.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.536 ' CE2' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -129.64 74.09 81.03 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 124.97 1.419 . . . . 1.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -34.79 3.66 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.523 2.815 . . . . 1.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -55.1 -29.41 57.58 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.941 1.401 . . . . 1.0 109.272 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' PHE . 4.5 m-85 -79.45 -52.2 8.36 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.022 1.451 . . . . 1.0 109.341 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -53.86 -46.55 71.32 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.038 1.461 . . . . 1.0 109.309 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -29.59 69.86 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -43.79 13.37 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.44 . . . . 1.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.3 t80 -146.0 88.79 6.25 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.973 1.421 . . . . 1.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 11.56 1.4 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.492 2.795 . . . . 1.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -85.87 26.95 0.92 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.968 1.417 . . . . 1.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 96.8 m95 -68.19 -56.23 9.48 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.946 1.404 . . . . 1.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 3.4 tm0? -40.75 -28.16 0.07 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.963 1.415 . . . . 1.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -80.43 -49.36 11.54 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.991 1.432 . . . . 1.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.467 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 27.9 m -82.07 -64.48 1.17 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.966 1.416 . . . . 1.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.566 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.5 tp -39.78 -38.7 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.986 1.429 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 29.8 ttt-85 -60.05 -50.12 74.96 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.066 1.479 . . . . 1.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.455 ' C ' HD23 ' A' ' 57' ' ' LEU . 10.1 m-70 -70.66 -54.83 10.4 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.011 1.444 . . . . 1.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.496 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 21.4 m120 -53.81 -44.89 70.58 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.969 1.418 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.698 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 10.6 tp -54.09 -52.65 60.3 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.969 1.418 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.4 p -68.65 -40.32 80.27 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.031 1.457 . . . . 1.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -88.39 25.47 1.66 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.031 1.457 . . . . 1.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.51 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 9.4 t-20 -106.45 -85.22 0.5 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.437 . . . . 1.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.573 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 75.5 m-20 -82.06 -26.75 33.42 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.991 1.432 . . . . 1.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 63.4 m 80.81 40.47 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.02 1.45 . . . . 1.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -77.26 -173.87 3.01 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.058 1.474 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 70.9 t -106.85 140.94 23.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.972 1.42 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.641 ' CB ' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -115.71 138.06 51.48 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.995 1.434 . . . . 1.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -76.01 123.36 88.11 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.953 1.408 . . . . 1.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 45.37 1.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.466 2.778 . . . . 1.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 58.21 70.78 0.62 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.985 1.428 . . . . 1.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.239 0.54 0 O-C-N 125.016 1.448 . . . . 1.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.954 ' O ' HG22 ' A' ' 25' ' ' THR . 58.8 m-80 -123.98 -172.0 2.44 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.027 1.075 . . . . 1.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.445 ' CD1' ' HG2' ' A' ' 23' ' ' LYS . 20.5 m-85 -127.77 75.4 1.6 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.956 1.41 . . . . 1.0 109.285 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.641 ' CE2' ' CB ' ' A' ' 63' ' ' LYS . 11.3 m0 -74.45 130.56 39.86 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.99 1.432 . . . . 1.0 109.302 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.577 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -140.47 150.32 43.64 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 1.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.503 ' CD1' HG12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -62.56 135.89 57.62 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.019 1.449 . . . . 1.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 54.7 p30 . . . . . 0 C--O 1.24 0.562 0 O-C-N 125.001 1.438 . . . . 1.0 109.317 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.503 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 1.9 p . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.429 -0.796 . . . . 1.0 109.231 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ3' ' A' ' 47' ' ' TRP . 20.0 m-85 -85.45 -79.29 0.24 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.994 1.434 . . . . 1.0 109.288 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.511 HG12 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -39.7 -45.83 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.954 1.409 . . . . 1.0 109.302 -179.561 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -58.51 -46.2 87.22 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.99 1.431 . . . . 1.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 8' ' ' TYR . 11.7 mt -60.09 -40.65 90.34 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.048 1.468 . . . . 1.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.493 HD12 ' CD1' ' A' ' 55' ' ' LEU . 40.3 mm -72.15 -44.25 65.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 125.027 1.455 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -52.28 -42.5 63.77 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.945 1.403 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.481 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 4.9 ptm -81.9 -17.86 45.72 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.961 1.413 . . . . 1.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -81.66 -48.73 11.34 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 16' ' ' ILE . 4.8 mm -56.29 -54.51 26.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.944 1.403 . . . . 1.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 1.1 pp -56.58 -30.67 63.45 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.971 1.42 . . . . 1.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -55.54 -22.57 22.17 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.001 1.438 . . . . 1.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.8 p -117.72 82.72 16.73 Favored Pre-proline 0 C--O 1.239 0.546 0 O-C-N 124.984 1.427 . . . . 1.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 10.01 1.87 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.524 2.816 . . . . 1.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -96.47 -85.35 0.34 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.032 1.458 . . . . 1.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 0.7 OUTLIER 163.3 44.68 0.0 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.941 1.401 . . . . 1.0 109.352 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.69 111.58 6.4 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.436 . . . . 1.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 2.6 mm? -111.49 87.93 2.67 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.002 1.439 . . . . 1.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.985 HG23 ' O ' ' A' ' 75' ' ' ASN . 3.0 m -89.79 103.32 15.98 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.984 1.428 . . . . 1.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.428 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -43.06 -34.37 1.02 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.981 1.426 . . . . 1.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -53.47 -46.7 70.03 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.012 1.445 . . . . 1.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 32' ' ' PHE . . . -77.92 -17.74 78.05 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 40.8 mm -76.81 -52.24 17.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.975 1.044 . . . . 1.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.0 p -56.92 -45.19 82.85 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.004 1.44 . . . . 1.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.7 -23.8 59.85 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.991 1.432 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 8.6 t80 -72.64 -44.9 61.3 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.968 1.418 . . . . 1.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.411 HD13 ' CD2' ' A' ' 32' ' ' PHE . 35.3 mm -62.9 -48.69 86.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.001 1.438 . . . . 1.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -72.61 -18.87 61.55 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 125.015 1.447 . . . . 1.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.18 -39.33 82.18 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.032 1.458 . . . . 1.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -90.92 -39.34 12.33 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.994 1.433 . . . . 1.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.454 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -123.13 84.88 51.31 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.992 1.432 . . . . 1.0 109.358 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -28.07 9.58 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.51 2.807 . . . . 1.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -71.71 -31.83 67.14 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.933 1.396 . . . . 1.0 109.262 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -42.48 90.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.055 1.472 . . . . 1.0 109.326 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -64.45 -33.04 74.95 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.986 1.429 . . . . 1.0 109.257 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -33.05 74.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.961 1.413 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -84.04 -32.87 24.63 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 1.2 t80 -150.91 90.72 4.12 Favored Pre-proline 0 C--O 1.239 0.509 0 O-C-N 124.959 1.412 . . . . 1.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 8.63 2.34 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.488 2.792 . . . . 1.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.602 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . . . -83.62 19.7 1.57 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.996 1.435 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.486 ' CZ3' ' CZ ' ' A' ' 8' ' ' TYR . 58.1 m95 -75.88 -3.58 36.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.966 1.416 . . . . 1.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 10.4 tt0 -86.14 -46.89 10.0 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.026 1.454 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.439 ' HA ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -87.84 -40.09 14.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.002 1.439 . . . . 1.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.6 m -56.58 -67.51 0.3 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.964 1.415 . . . . 1.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -58.93 -24.34 26.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.957 1.411 . . . . 1.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HB2' ' HA ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -56.34 -43.18 78.8 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.969 1.418 . . . . 1.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.516 ' CE1' HD22 ' A' ' 57' ' ' LEU . 9.0 t60 -72.47 -51.15 21.41 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.037 1.461 . . . . 1.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.597 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 4.9 m120 -69.33 -7.1 34.15 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.961 1.413 . . . . 1.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.536 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 5.5 tp -85.58 -46.32 10.92 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.982 1.426 . . . . 1.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.602 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 40.1 t -79.82 -46.65 16.53 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.027 1.455 . . . . 1.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.597 ' CD2' ' HA ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -57.91 -23.17 52.19 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.421 . . . . 1.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 28.2 t-20 -76.3 -67.21 0.71 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.02 1.45 . . . . 1.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.8 OUTLIER -81.34 -57.27 3.56 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.977 1.423 . . . . 1.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 99.87 25.07 0.0 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.435 . . . . 1.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -68.14 178.15 1.98 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.98 1.425 . . . . 1.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.689 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 4.9 m -100.82 137.96 26.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.95 1.407 . . . . 1.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.616 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -118.04 125.24 49.96 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.051 1.469 . . . . 1.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 64' ' ' ILE . 21.9 pt -77.76 117.29 64.81 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.998 1.436 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 62.11 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.561 2.841 . . . . 1.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 0.6 OUTLIER 64.75 75.43 0.37 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.005 1.441 . . . . 1.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.578 0 O-C-N 124.957 1.411 . . . . 1.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.985 ' O ' HG23 ' A' ' 25' ' ' THR . 39.7 m-80 -116.86 -171.07 1.95 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.055 1.091 . . . . 1.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 10.8 m-85 -145.0 118.48 9.07 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.015 1.447 . . . . 1.0 109.254 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.689 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.8 m0 -104.16 134.82 46.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.977 1.423 . . . . 1.0 109.279 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.61 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 6.3 p -124.42 146.6 48.8 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.983 1.427 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.411 ' CD2' ' OD1' ' A' ' 59' ' ' ASP . 6.7 mp -65.23 139.98 58.69 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.958 1.411 . . . . 1.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.513 ' OD1' ' CG1' ' A' ' 62' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.573 0 O-C-N 124.978 1.424 . . . . 1.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.566 0 CA-C-O 118.389 -0.815 . . . . 1.0 109.34 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.421 ' OH ' ' O ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -83.16 -74.78 0.35 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.022 1.452 . . . . 1.0 109.297 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.46 HD11 ' CB ' ' A' ' 58' ' ' ASN . 1.5 tp -59.94 -30.18 44.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.989 1.43 . . . . 1.0 109.295 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.22 -33.62 58.73 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.002 1.439 . . . . 1.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -80.84 -31.44 35.48 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.933 1.396 . . . . 1.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -62.43 -56.51 17.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 124.965 1.416 . . . . 1.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.9 p -43.22 -37.11 2.0 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.7 mtm -65.09 -41.81 94.65 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.04 1.462 . . . . 1.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.626 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -55.75 -30.35 61.08 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.424 . . . . 1.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.495 HD11 ' CE2' ' A' ' 61' ' ' PHE . 30.8 mm -80.2 -43.17 22.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.959 1.412 . . . . 1.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.94 -42.82 72.77 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.979 1.424 . . . . 1.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -50.94 -23.51 2.93 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.917 1.385 . . . . 1.0 109.233 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 m -113.56 89.33 15.17 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.973 1.421 . . . . 1.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 2.04 7.09 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.526 2.817 . . . . 1.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 47.0 tt0 -110.21 -80.14 0.58 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.0 1.438 . . . . 1.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 166.36 48.44 0.0 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.977 1.423 . . . . 1.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -134.55 93.91 3.12 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.012 1.445 . . . . 1.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 3.8 mm? -110.24 117.77 34.56 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.046 1.466 . . . . 1.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 75' ' ' ASN . 33.8 p -104.5 107.37 18.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.966 1.416 . . . . 1.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD12 ' CH2' ' A' ' 77' ' ' TRP . 10.4 tt -45.26 -36.58 4.08 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.018 1.449 . . . . 1.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 p -62.59 -45.34 93.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.051 1.469 . . . . 1.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.91 -35.26 54.56 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.326 -1.51 . . . . 1.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.79 -48.05 81.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 125.01 1.065 . . . . 1.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 t -55.98 -53.08 61.26 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.976 1.422 . . . . 1.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -65.61 -33.14 75.2 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.984 1.428 . . . . 1.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.626 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 2.0 t80 -61.05 -41.83 97.33 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.968 1.417 . . . . 1.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.625 HD13 ' CD2' ' A' ' 32' ' ' PHE . 5.8 mm -69.01 -39.04 79.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.431 . . . . 1.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -74.94 -21.3 59.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.959 1.412 . . . . 1.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.84 -47.35 75.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.049 1.468 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -80.88 -37.88 29.02 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.067 1.479 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.85 86.2 30.12 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.95 1.406 . . . . 1.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.37 1.24 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.489 2.793 . . . . 1.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.463 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 8.9 m-85 -70.18 -27.73 64.75 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.017 1.448 . . . . 1.0 109.334 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CD1' ' HZ2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -64.73 -48.82 73.2 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.98 1.425 . . . . 1.0 109.319 -179.38 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -64.93 -46.04 83.32 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 -179.581 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -58.12 -24.1 57.47 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.965 1.416 . . . . 1.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -96.73 -32.36 12.2 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.032 1.458 . . . . 1.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.658 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.5 t80 -152.04 85.58 4.66 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 124.996 1.435 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HB3' ' HG3' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.01 11.39 1.45 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.516 2.811 . . . . 1.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -84.97 27.28 0.78 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.958 1.411 . . . . 1.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 96.2 m95 -81.51 24.64 0.56 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.001 1.438 . . . . 1.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.49 -78.78 0.18 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.011 1.444 . . . . 1.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' ARG . 27.3 t-20 -82.94 -32.49 27.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.006 1.441 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 5.7 p -41.9 -26.6 0.09 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.984 1.427 . . . . 1.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -107.07 -27.24 3.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.02 1.45 . . . . 1.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.463 ' N ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -59.76 -23.97 63.68 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.995 1.435 . . . . 1.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.522 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -73.07 -56.8 4.62 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.978 1.424 . . . . 1.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.45 -28.11 60.89 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.426 . . . . 1.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.613 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 32.2 tp -58.28 -59.8 4.77 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.004 1.44 . . . . 1.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -69.86 -27.67 65.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.997 1.435 . . . . 1.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.522 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 1.2 tt -90.75 17.7 7.35 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 2.0 t-20 -103.37 -89.8 0.38 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.029 1.455 . . . . 1.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.569 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 24.8 m-20 -83.18 -3.9 57.84 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.008 1.442 . . . . 1.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.577 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 13.5 p 52.0 65.78 1.4 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -95.09 178.39 5.56 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.972 1.42 . . . . 1.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -101.0 112.08 32.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.998 1.436 . . . . 1.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.677 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -85.13 146.76 26.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.983 1.427 . . . . 1.0 109.276 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 1.1 pp -115.67 82.79 10.56 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.972 1.42 . . . . 1.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 5.42 4.0 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.511 2.807 . . . . 1.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.21 91.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.993 1.433 . . . . 1.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.449 ' HB2' HD13 ' A' ' 64' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.57 0 O-C-N 124.95 1.406 . . . . 1.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 109.354 -1.498 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.813 ' O ' HG22 ' A' ' 25' ' ' THR . 8.8 m120 -128.8 -172.02 2.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.067 1.098 . . . . 1.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 16.7 m-85 -146.45 101.12 3.44 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.037 1.461 . . . . 1.0 109.303 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.677 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 5.2 m0 -98.55 130.57 45.12 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.037 1.461 . . . . 1.0 109.285 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 43.1 p -118.44 142.18 47.81 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.978 1.424 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.405 ' HG ' ' HB3' ' A' ' 59' ' ' ASP . 7.3 mp -66.33 132.66 48.86 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.019 1.45 . . . . 1.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--O 1.24 0.581 0 O-C-N 124.989 1.431 . . . . 1.0 109.269 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.449 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.565 0 CA-C-O 118.43 -0.795 . . . . 1.0 109.293 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -60.83 2.16 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.952 1.407 . . . . 1.0 109.267 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.862 ' O ' HG23 ' A' ' 13' ' ' THR . 2.4 pp -54.67 -44.98 72.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.018 1.449 . . . . 1.0 109.292 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB3' ' CB ' ' A' ' 7' ' ' SER . . . -60.67 -24.13 65.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.005 1.441 . . . . 1.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.517 ' CD1' ' NH2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -77.63 -53.2 7.85 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.004 1.44 . . . . 1.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.459 HG21 ' CB ' ' A' ' 58' ' ' ASN . 1.6 mp -58.0 -47.73 85.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.029 1.456 . . . . 1.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.862 HG23 ' O ' ' A' ' 9' ' ' ILE . 28.5 p -43.87 -34.82 1.74 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.948 1.405 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.514 ' HE2' ' NH2' ' A' ' 36' ' ' ARG . 3.0 ttp -83.22 -35.8 25.12 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.019 1.449 . . . . 1.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.614 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -55.55 -49.06 73.69 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.018 1.449 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -56.32 -42.72 74.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 1.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 13' ' ' THR . 53.1 mt -48.78 -40.27 28.33 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.029 1.456 . . . . 1.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.614 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 9.6 mm100 -45.08 -24.35 0.23 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.002 1.439 . . . . 1.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.534 ' CB ' ' HG ' ' A' ' 24' ' ' LEU . 77.3 p -111.52 90.56 12.54 Favored Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.006 1.441 . . . . 1.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 15.29 0.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.541 2.827 . . . . 1.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -130.7 -85.96 0.51 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.007 1.442 . . . . 1.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.711 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER 177.34 40.8 0.0 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.985 1.428 . . . . 1.0 109.278 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -141.51 106.75 5.0 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.046 1.466 . . . . 1.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HG ' ' CB ' ' A' ' 19' ' ' SER . 13.0 mt -120.57 125.03 46.77 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.009 1.443 . . . . 1.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.939 HG22 ' O ' ' A' ' 75' ' ' ASN . 18.3 p -102.8 114.07 28.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.429 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -42.73 -34.62 0.94 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.056 1.472 . . . . 1.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -66.72 -41.56 87.74 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.002 1.438 . . . . 1.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.19 -22.3 68.47 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.22 -52.28 15.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.946 1.027 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.82 -35.73 79.08 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.028 1.455 . . . . 1.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -38.38 81.78 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.975 1.422 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.485 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.92 -54.92 40.43 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.992 1.432 . . . . 1.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.485 HG13 ' CD2' ' A' ' 32' ' ' PHE . 14.1 mt -60.03 -57.96 9.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 125.021 1.451 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -53.79 -23.41 11.97 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.925 1.39 . . . . 1.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 32' ' ' PHE . 2.8 t-20 -59.38 -42.49 91.81 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.016 1.447 . . . . 1.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.517 ' NH2' ' CD1' ' A' ' 11' ' ' LEU . 1.2 ptt180 -123.23 37.01 4.51 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.014 1.446 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.495 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 5.7 m-85 -136.03 62.69 47.41 Favored Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -75.04 -65.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.454 2.769 . . . . 1.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -67.05 -17.91 65.11 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.982 1.426 . . . . 1.0 109.316 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -48.94 13.92 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.432 . . . . 1.0 109.318 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -38.01 84.01 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.933 1.396 . . . . 1.0 109.281 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.08 -43.38 92.38 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.929 1.393 . . . . 1.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -53.73 11.02 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.029 1.456 . . . . 1.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.56 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.0 t80 -131.71 93.11 28.92 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.984 1.427 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 2.53 6.52 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.534 2.822 . . . . 1.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.506 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -85.43 25.52 1.02 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.987 1.43 . . . . 1.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 52.8 m95 -69.45 -30.27 68.14 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.039 1.462 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -70.39 -47.75 59.39 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.983 1.427 . . . . 1.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -76.37 -53.46 8.14 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.962 1.414 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 83.0 p -47.88 -52.03 20.84 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.993 1.433 . . . . 1.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.544 ' CG1' ' O ' ' A' ' 47' ' ' TRP . 13.4 mm -66.5 -40.58 86.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 125.002 1.439 . . . . 1.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HD2' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -47.67 -39.6 17.73 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.026 1.454 . . . . 1.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -81.63 -56.95 3.68 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.029 1.456 . . . . 1.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.528 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 8.4 t-20 -53.08 -41.83 65.29 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.024 1.453 . . . . 1.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.58 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 18.7 tp -53.19 -49.68 66.22 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.969 1.418 . . . . 1.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.3 t -82.59 -20.26 36.83 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.917 1.386 . . . . 1.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.0 tp -84.59 -5.55 59.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.951 1.407 . . . . 1.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.459 ' CB ' HG21 ' A' ' 12' ' ' ILE . 4.4 t30 -96.94 -73.7 0.59 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.027 1.454 . . . . 1.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.578 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 2.9 m-20 -84.04 -39.72 19.26 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.012 1.445 . . . . 1.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 56' ' ' SER . 1.2 m 77.83 36.47 0.25 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.13 -175.91 0.37 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.002 1.439 . . . . 1.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.55 ' CG2' ' OG1' ' A' ' 78' ' ' THR . 11.7 m -105.51 121.57 57.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.977 1.423 . . . . 1.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.607 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 4.6 pttp -104.67 143.01 33.67 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.663 HD11 ' CD1' ' A' ' 76' ' ' TYR . 4.3 pt -104.14 104.78 45.77 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.0 1.438 . . . . 1.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.541 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.03 3.75 5.36 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.5 2.8 . . . . 1.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 52.6 ttt180 169.28 90.24 0.0 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.002 1.439 . . . . 1.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.569 0 O-C-N 124.952 1.408 . . . . 1.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.939 ' O ' HG22 ' A' ' 25' ' ' THR . 81.1 m-20 -155.18 178.07 10.62 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.045 1.085 . . . . 1.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.663 ' CD1' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -129.24 77.3 1.78 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.024 1.453 . . . . 1.0 109.301 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.607 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 8.0 m0 -73.33 126.52 30.31 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.026 1.454 . . . . 1.0 109.302 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 22' ' ' LYS . 73.0 p -121.4 139.21 53.74 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.49 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.19 132.16 46.68 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 t0 . . . . . 0 C--O 1.239 0.549 0 O-C-N 125.031 1.457 . . . . 1.0 109.274 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.511 ' HB2' ' CD1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.534 0 CA-C-O 118.431 -0.795 . . . . 1.0 109.267 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -56.6 -27.66 58.65 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.971 1.42 . . . . 1.0 109.318 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 7' ' ' SER . 0.1 OUTLIER -79.22 4.0 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.993 1.433 . . . . 1.0 109.317 -179.521 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.8 -39.58 2.95 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.979 1.424 . . . . 1.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.546 HD12 ' CE2' ' A' ' 37' ' ' PHE . 3.3 mm? -69.97 -49.15 54.6 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.961 1.413 . . . . 1.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.3 mm -69.17 -41.14 81.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.974 1.421 . . . . 1.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -48.67 -36.2 15.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.955 1.409 . . . . 1.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.469 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -83.35 -28.49 28.94 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.941 1.401 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.551 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -77.81 -40.7 39.7 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.017 1.448 . . . . 1.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.512 HD11 ' CE2' ' A' ' 61' ' ' PHE . 4.4 tp -61.93 -49.02 85.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.039 1.462 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 1.5 pp -63.65 -30.77 71.83 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.951 1.407 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.87 -23.45 2.82 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.018 1.449 . . . . 1.0 109.35 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.566 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 3.0 p -117.31 77.82 10.19 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 31.97 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.583 2.855 . . . . 1.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -126.03 -89.01 0.57 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.985 1.428 . . . . 1.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 173.37 40.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.048 1.468 . . . . 1.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -143.12 90.87 2.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.986 1.429 . . . . 1.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.566 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -102.64 103.41 13.69 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.035 1.459 . . . . 1.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.858 HG22 ' O ' ' A' ' 75' ' ' ASN . 82.1 p -89.25 106.78 18.67 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.95 1.406 . . . . 1.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -50.24 -40.57 48.08 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.0 1.437 . . . . 1.0 109.235 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -43.63 98.42 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.97 1.419 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.63 -36.14 54.26 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.98 -47.6 76.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.051 . . . . 1.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' SG ' ' HG3' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -62.23 -41.07 98.08 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.042 1.464 . . . . 1.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 1.2 tt0 -66.27 -27.13 67.7 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.488 ' CE2' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -81.61 -41.59 21.28 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.487 HG13 ' CE1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -73.28 -36.8 50.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.965 1.415 . . . . 1.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.3 p -71.06 -20.33 62.38 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.979 1.424 . . . . 1.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 31' ' ' GLU . 5.4 m-80 -79.8 -56.91 3.94 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.982 1.426 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 1.7 ptp180 -74.39 -39.27 62.8 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.975 1.422 . . . . 1.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 1.8 m-85 -118.59 72.81 10.82 Favored Pre-proline 0 C--O 1.241 0.617 0 O-C-N 124.977 1.423 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HD3' ' C ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -74.98 -40.08 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.541 2.827 . . . . 1.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 25.9 t80 -62.51 -18.18 61.35 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.005 1.441 . . . . 1.0 109.313 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.703 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -81.15 -44.34 18.03 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.006 1.441 . . . . 1.0 109.325 -179.36 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -43.2 20.88 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.0 1.437 . . . . 1.0 109.285 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.43 -12.18 55.81 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.419 . . . . 1.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -113.32 -37.83 4.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.449 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.858 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 1.1 t80 -132.84 66.85 77.25 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.961 1.413 . . . . 1.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -75.02 -13.91 21.23 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.51 2.806 . . . . 1.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.95 -5.98 58.75 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.425 . . . . 1.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.858 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -84.46 10.39 10.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.956 1.41 . . . . 1.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' O ' HD13 ' A' ' 51' ' ' ILE . 43.6 tt0 -52.03 -50.87 60.58 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.07 -24.68 32.62 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 14.9 t -52.47 -44.84 65.82 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.043 1.464 . . . . 1.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.481 HG12 ' N ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -82.48 -30.66 9.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.025 1.453 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.481 ' N ' HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.22 -46.08 68.95 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 1.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.414 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -57.77 -57.21 13.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.013 1.445 . . . . 1.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -62.21 -28.39 69.65 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.011 1.445 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.592 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -59.38 -53.68 55.38 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.986 1.429 . . . . 1.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -77.88 -29.18 50.13 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.987 1.429 . . . . 1.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -84.38 18.61 2.16 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.994 1.434 . . . . 1.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 8.1 t-20 -105.14 -86.17 0.47 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.99 1.431 . . . . 1.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.66 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -83.71 -35.89 24.12 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.007 1.442 . . . . 1.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.66 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 75.8 m 89.48 43.63 0.01 OUTLIER 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.044 1.465 . . . . 1.0 109.336 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.635 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.01 -168.15 0.13 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.963 1.414 . . . . 1.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -119.14 115.16 46.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 125.062 1.476 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HE3' ' CH2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -107.03 129.35 54.82 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.96 1.413 . . . . 1.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.03 113.14 41.07 Favored Pre-proline 0 C--O 1.239 0.535 0 O-C-N 124.989 1.43 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 2.81 6.19 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.542 2.828 . . . . 1.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.69 71.37 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 1.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.24 0.559 0 O-C-N 125.053 1.471 . . . . 1.0 109.327 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.858 ' O ' HG22 ' A' ' 25' ' ' THR . 4.2 m120 -133.64 -159.67 0.98 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.004 1.061 . . . . 1.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 7.8 m-85 -146.15 85.07 1.66 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.998 1.436 . . . . 1.0 109.297 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.53 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 10.4 m0 -78.64 133.5 37.24 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.982 1.426 . . . . 1.0 109.302 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 5.1 p -120.44 132.83 55.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.022 1.451 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.57 123.15 20.06 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.985 1.428 . . . . 1.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 4.2 p-10 . . . . . 0 C--O 1.24 0.566 0 O-C-N 125.008 1.443 . . . . 1.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 1.3 m . . . . . 0 C--O 1.24 0.571 0 CA-C-O 118.404 -0.808 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' LEU . 2.9 m-85 -77.16 -68.37 0.62 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.976 1.423 . . . . 1.0 109.274 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.941 ' O ' HG23 ' A' ' 13' ' ' THR . 0.2 OUTLIER -46.97 -36.62 3.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 125.029 1.456 . . . . 1.0 109.298 -179.539 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 7' ' ' SER . . . -69.46 -32.46 71.4 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.483 HD12 ' CG1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -71.04 -50.93 28.69 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.971 1.42 . . . . 1.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG13 ' CD2' ' A' ' 55' ' ' LEU . 1.5 mp -58.76 -53.59 45.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.996 1.435 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.941 HG23 ' O ' ' A' ' 9' ' ' ILE . 20.5 p -42.56 -36.79 1.47 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.994 1.434 . . . . 1.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -80.71 -38.46 28.83 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.015 1.447 . . . . 1.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -62.41 -46.03 90.43 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.012 1.445 . . . . 1.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.418 ' CD1' ' HG ' ' A' ' 24' ' ' LEU . 22.5 mm -65.19 -44.96 95.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.974 1.421 . . . . 1.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -43.53 94.03 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.012 1.445 . . . . 1.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -50.75 -22.07 1.94 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.017 1.448 . . . . 1.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 1.9 p -118.22 76.97 12.59 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 124.995 1.435 . . . . 1.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.01 32.54 0.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.497 2.798 . . . . 1.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.496 ' O ' ' CE ' ' A' ' 22' ' ' LYS . 44.5 tp60 -122.86 -85.93 0.65 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.996 1.435 . . . . 1.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.811 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER 170.84 42.41 0.0 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.98 1.425 . . . . 1.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' C ' HD22 ' A' ' 24' ' ' LEU . 13.1 mttp -141.25 108.51 5.51 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 29' ' ' ILE . 4.3 mm? -120.32 64.62 0.83 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.976 1.423 . . . . 1.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -66.93 121.41 15.44 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.012 1.445 . . . . 1.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -31.94 39.23 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.973 1.421 . . . . 1.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -41.97 84.11 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.988 1.43 . . . . 1.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -80.77 -44.6 8.28 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.455 HD11 ' CD1' ' A' ' 24' ' ' LEU . 1.5 mp -56.25 -49.79 74.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.988 1.052 . . . . 1.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.4 t -59.13 -57.17 14.22 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.002 1.439 . . . . 1.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -62.24 -21.95 65.58 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.981 1.426 . . . . 1.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -73.05 -47.13 47.42 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.432 . . . . 1.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.483 ' CG1' HD12 ' A' ' 11' ' ' LEU . 2.1 mt -66.93 -50.68 62.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.012 1.445 . . . . 1.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.1 p -65.37 -17.56 64.62 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.002 1.439 . . . . 1.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -69.09 -45.62 69.81 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.351 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 20.4 mmm-85 -80.03 -33.81 38.86 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.013 1.446 . . . . 1.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -122.87 83.93 49.96 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 125.001 1.438 . . . . 1.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.46 7.14 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.481 2.787 . . . . 1.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -28.84 63.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.018 1.449 . . . . 1.0 109.284 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -55.23 18.19 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.992 1.432 . . . . 1.0 109.298 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -38.08 47.41 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.972 1.42 . . . . 1.0 109.3 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.23 -37.81 78.19 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.938 1.399 . . . . 1.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -54.52 6.85 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.983 1.427 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.544 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.7 t80 -131.39 92.97 30.54 Favored Pre-proline 0 C--O 1.239 0.533 0 O-C-N 125.013 1.446 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 4.92 4.27 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.533 2.822 . . . . 1.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -84.84 23.1 1.23 Allowed 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.016 1.448 . . . . 1.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.544 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 61.6 m95 -69.06 -41.48 77.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.018 1.449 . . . . 1.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -58.41 -43.11 88.47 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.014 1.446 . . . . 1.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -67.47 -56.59 8.95 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -58.17 -47.92 81.89 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.513 ' HA ' ' OD1' ' A' ' 54' ' ' ASN . 73.6 mt -61.97 -61.84 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.963 1.414 . . . . 1.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -42.79 -23.99 0.05 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.569 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -80.49 -58.4 3.14 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.984 1.428 . . . . 1.0 109.333 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.513 ' OD1' ' HA ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -71.66 -32.46 67.92 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.053 1.471 . . . . 1.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.615 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -56.61 -57.39 12.6 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.996 1.435 . . . . 1.0 109.316 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.15 -32.71 59.24 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.978 1.423 . . . . 1.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 tp -85.19 23.57 1.25 Allowed 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 4.5 t-20 -107.54 -85.1 0.52 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.027 1.454 . . . . 1.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.728 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 21.8 m-20 -81.19 -30.0 34.44 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.94 1.4 . . . . 1.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.728 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 9.9 m 86.01 28.74 0.05 OUTLIER 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.045 1.466 . . . . 1.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.68 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -67.33 -178.07 0.79 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.023 1.452 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 10.5 m -112.35 139.23 38.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.016 1.448 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 1.1 pttp -112.46 172.54 6.86 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.001 1.438 . . . . 1.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.421 ' HB ' ' OE2' ' A' ' 67' ' ' GLU . 95.7 mt -109.03 97.16 23.45 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.993 1.433 . . . . 1.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -74.98 10.59 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.563 2.842 . . . . 1.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.51 86.15 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.017 1.448 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.58 ' OE1' ' CE2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.58 0 O-C-N 124.953 1.408 . . . . 1.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.42 ' C ' ' OD1' ' A' ' 75' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.1 m-20 -138.65 92.78 2.65 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.058 . . . . 1.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' OE1' ' A' ' 67' ' ' GLU . 16.9 m-85 -89.12 134.21 34.1 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.016 1.448 . . . . 1.0 109.329 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.638 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.1 m0 -106.64 135.35 48.32 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.952 1.407 . . . . 1.0 109.298 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 22' ' ' LYS . 15.0 p -121.87 139.02 54.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.035 1.459 . . . . 1.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.68 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -71.62 127.13 31.57 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.011 1.444 . . . . 1.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--O 1.239 0.549 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.586 0 CA-C-O 118.382 -0.818 . . . . 1.0 109.281 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.716 ' CZ ' ' CZ3' ' A' ' 47' ' ' TRP . 0.6 OUTLIER -80.44 -72.64 0.4 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.311 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.541 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 1.2 mp -54.61 -32.04 24.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.987 1.43 . . . . 1.0 109.313 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -39.81 75.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.968 1.417 . . . . 1.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.531 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -81.49 -37.69 27.52 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.004 1.44 . . . . 1.0 109.307 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.541 ' HB ' ' HA ' ' A' ' 9' ' ' ILE . 1.3 mp -46.84 -37.69 3.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.979 1.424 . . . . 1.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -43.82 -43.12 6.03 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.025 1.453 . . . . 1.0 109.292 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 mtm -81.54 -39.21 25.0 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.954 1.409 . . . . 1.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.502 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -46.81 -32.31 3.61 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.616 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 1.3 tp -77.52 -43.55 30.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 125.023 1.452 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.86 -32.9 15.47 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.991 1.432 . . . . 1.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 1.5 mp0 -51.12 -22.75 2.68 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.994 1.434 . . . . 1.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.429 ' OG ' ' HG ' ' A' ' 24' ' ' LEU . 77.3 p -114.28 85.33 10.42 Favored Pre-proline 0 C--O 1.239 0.552 0 O-C-N 125.017 1.448 . . . . 1.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.0 12.45 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.485 2.79 . . . . 1.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.53 -83.89 0.48 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.043 1.464 . . . . 1.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.48 40.74 0.0 OUTLIER 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.006 1.441 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' CG ' ' HB2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -139.15 99.69 3.82 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.042 1.464 . . . . 1.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.44 ' CD1' HD12 ' A' ' 16' ' ' ILE . 27.0 mt -105.05 103.5 13.06 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.028 1.455 . . . . 1.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.903 HG23 ' O ' ' A' ' 75' ' ' ASN . 15.9 m -89.59 102.96 15.64 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.986 1.428 . . . . 1.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -41.12 -37.85 0.95 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.984 1.427 . . . . 1.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.3 m -56.76 -44.91 82.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.992 1.432 . . . . 1.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.05 -27.65 52.27 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.262 -1.535 . . . . 1.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.426 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 21.7 mm -58.2 -54.68 29.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.957 1.034 . . . . 1.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.96 -40.49 75.39 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.973 1.42 . . . . 1.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -55.72 -38.33 69.6 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.012 1.445 . . . . 1.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.529 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.16 -42.39 62.84 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.023 1.452 . . . . 1.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.544 HG23 ' CD1' ' A' ' 37' ' ' PHE . 86.9 mt -67.53 -53.82 28.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.003 1.44 . . . . 1.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.2 t -46.59 -26.46 0.9 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.057 1.473 . . . . 1.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.61 -46.87 74.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.99 1.431 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -100.22 9.72 42.34 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.985 1.428 . . . . 1.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' CD2' ' A' ' 40' ' ' TYR . 12.0 m-85 -137.31 64.15 45.21 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 125.018 1.449 . . . . 1.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -75.05 -52.34 0.11 Allowed 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.485 2.79 . . . . 1.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 39' ' ' TYR . 18.6 t80 -80.56 -9.02 59.79 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.987 1.43 . . . . 1.0 109.357 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -80.01 -39.03 30.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.052 1.47 . . . . 1.0 109.336 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -72.51 -55.33 7.14 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.004 1.44 . . . . 1.0 109.299 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.27 -33.44 3.72 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.038 1.461 . . . . 1.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -52.37 5.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.999 1.437 . . . . 1.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 7.6 t80 -131.77 87.81 44.2 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 124.944 1.402 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 5.32 4.06 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.489 2.793 . . . . 1.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -84.62 26.35 0.82 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.015 1.447 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.716 ' CZ3' ' CZ ' ' A' ' 8' ' ' TYR . 67.4 m95 -68.94 -42.65 76.43 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.018 1.449 . . . . 1.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 2.5 mt-30 -56.25 -43.79 79.04 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.007 1.442 . . . . 1.0 109.335 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -80.62 -43.44 20.52 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.018 1.449 . . . . 1.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 19.8 m -63.84 -65.43 0.68 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.07 1.481 . . . . 1.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.696 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -52.18 -43.59 38.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.998 1.436 . . . . 1.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -43.94 -38.12 3.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.999 1.437 . . . . 1.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -81.58 -56.24 4.14 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.956 1.41 . . . . 1.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 4.2 m120 -59.07 -27.6 65.68 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.975 1.422 . . . . 1.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.696 ' N ' ' O ' ' A' ' 51' ' ' ILE . 16.8 tp -64.72 -53.46 46.97 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.018 1.449 . . . . 1.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -80.68 -5.6 57.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.022 1.451 . . . . 1.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -83.07 -2.96 56.71 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 1.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -97.48 -82.27 0.42 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.977 1.423 . . . . 1.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -87.13 -34.64 19.01 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.995 1.434 . . . . 1.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 78.79 73.52 0.05 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.032 1.458 . . . . 1.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.665 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -86.58 -168.95 2.42 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.983 1.427 . . . . 1.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.445 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 6.4 m -114.53 103.62 15.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 124.986 1.429 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.504 ' C ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -79.99 143.84 33.78 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.992 1.433 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.678 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -129.65 60.81 54.01 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.008 1.443 . . . . 1.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 40.1 0.64 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.496 2.798 . . . . 1.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 1.9 tpm_? 173.36 90.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.041 1.463 . . . . 1.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CB ' HD11 ' A' ' 64' ' ' ILE . 19.9 tp10 . . . . . 0 C--O 1.239 0.534 0 O-C-N 124.979 1.425 . . . . 1.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.903 ' O ' HG23 ' A' ' 25' ' ' THR . 0.5 OUTLIER -137.17 -157.83 0.81 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.997 1.057 . . . . 1.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.453 ' HB2' ' CG ' ' A' ' 23' ' ' LYS . 1.9 p90 -172.25 125.55 0.53 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.95 1.406 . . . . 1.0 109.272 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.563 ' N ' ' CD1' ' A' ' 77' ' ' TRP . 1.9 m0 -94.52 151.6 19.22 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.448 . . . . 1.0 109.331 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.508 ' C ' ' HB3' ' A' ' 61' ' ' PHE . 91.3 m -122.3 133.79 54.67 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.967 1.417 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 128.25 35.34 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.005 1.441 . . . . 1.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.586 0 O-C-N 124.982 1.426 . . . . 1.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' O ' ' HB ' ' A' ' 2' ' ' VAL . 8.6 mtt . . . . . 0 C--O 1.24 0.581 0 CA-C-O 118.385 -0.817 . . . . 1.0 109.318 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' A' ' 3' ' ' LYS . 19.0 t 85.98 -27.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.424 . . . . 1.0 109.267 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 26.16 60.59 0.5 Allowed Pre-proline 0 C--O 1.239 0.532 0 O-C-N 125.01 1.444 . . . . 1.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.03 153.43 41.63 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.507 2.805 . . . . 1.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.4 Cg_endo -74.93 142.89 28.63 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.541 2.827 . . . . 1.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.466 ' CZ ' ' OH ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -95.25 92.2 6.65 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.988 1.43 . . . . 1.0 109.327 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.477 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 2.6 p -142.37 117.22 9.89 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.046 1.466 . . . . 1.0 109.278 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.3 m-85 -81.53 -69.11 0.64 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.98 1.425 . . . . 1.0 109.324 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.514 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -38.62 -43.15 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.999 1.437 . . . . 1.0 109.317 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 7' ' ' SER . . . -68.44 -40.44 81.13 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.03 1.456 . . . . 1.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -55.17 -31.15 61.14 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.996 1.435 . . . . 1.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' ALA . 13.9 mm -82.14 -47.57 19.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.961 1.413 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.432 ' C ' HG22 ' A' ' 16' ' ' ILE . 1.6 m -44.98 -38.02 4.43 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.942 1.401 . . . . 1.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.444 ' HE2' ' O ' ' A' ' 11' ' ' LEU . 4.1 ptt? -83.24 -26.87 30.35 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.962 1.414 . . . . 1.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -77.02 -23.64 52.17 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.985 1.428 . . . . 1.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.622 HD11 ' CD1' ' A' ' 79' ' ' LEU . 4.8 tp -82.22 -49.8 16.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.984 1.428 . . . . 1.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -52.72 -27.27 16.88 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.968 1.417 . . . . 1.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.405 ' OE1' ' HB2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -41.5 -33.74 0.47 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.06 1.475 . . . . 1.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 8.6 p -102.15 111.99 64.93 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 124.985 1.428 . . . . 1.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.86 8.41 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.548 2.832 . . . . 1.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.41 -84.77 0.66 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.997 1.436 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 42.68 0.0 OUTLIER 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.961 1.413 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' HD22 ' A' ' 24' ' ' LEU . 6.9 mtmm -140.71 114.45 8.9 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.01 1.443 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 4.2 mm? -116.02 130.63 56.9 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 75' ' ' ASN . 69.3 p -106.84 104.51 14.21 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.04 1.463 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.32 -34.22 1.17 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.013 1.446 . . . . 1.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 t -66.61 -41.67 88.03 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.031 1.457 . . . . 1.0 109.264 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.15 -16.97 80.15 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.333 -1.507 . . . . 1.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.426 ' O ' HG12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -79.32 -52.79 14.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.993 1.055 . . . . 1.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.2 p -51.78 -45.19 63.72 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.966 1.416 . . . . 1.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -70.75 -29.09 65.23 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.049 1.468 . . . . 1.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -70.8 -34.62 71.93 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.985 1.428 . . . . 1.0 109.3 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 46.8 mm -64.56 -61.21 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.976 1.422 . . . . 1.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -50.67 -22.48 2.08 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.452 . . . . 1.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.29 -32.8 70.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.053 1.471 . . . . 1.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.86 14.5 3.62 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.986 1.429 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 11' ' ' LEU . 5.0 m-85 -140.49 61.09 15.32 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 124.98 1.425 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 18.4 Cg_endo -74.95 -53.57 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.522 2.814 . . . . 1.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -71.43 -19.38 62.25 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.017 1.448 . . . . 1.0 109.306 -179.765 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.72 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 0.5 OUTLIER -80.85 -53.15 6.72 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.984 1.428 . . . . 1.0 109.277 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -41.21 67.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 17.4 tp10 -66.59 -11.64 54.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.443 . . . . 1.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -111.15 -36.73 5.53 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.021 1.451 . . . . 1.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.813 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -132.84 64.9 72.87 Favored Pre-proline 0 C--O 1.24 0.584 0 O-C-N 125.022 1.452 . . . . 1.0 109.242 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.99 -10.62 21.31 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.566 2.844 . . . . 1.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.1 -18.76 45.39 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.971 1.42 . . . . 1.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.813 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -77.15 -2.99 37.19 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.989 1.43 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -48.56 -40.57 27.63 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.425 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -81.71 -38.09 26.32 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.001 1.438 . . . . 1.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.41 ' OG ' ' OH ' ' A' ' 8' ' ' TYR . 53.5 p -48.02 -44.81 31.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.952 1.408 . . . . 1.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 47' ' ' TRP . 90.8 mt -64.89 -41.87 93.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.03 1.456 . . . . 1.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -56.8 -40.33 75.77 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.044 1.465 . . . . 1.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.458 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -56.06 -49.71 73.01 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.486 ' HA ' ' HB3' ' A' ' 57' ' ' LEU . 7.1 m120 -78.84 -21.72 47.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.045 1.466 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.6 ' CD2' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -59.01 -52.99 63.38 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.438 . . . . 1.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 11.5 t -82.75 -22.24 34.42 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.973 1.421 . . . . 1.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -82.56 -9.35 59.44 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.057 1.473 . . . . 1.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.446 ' ND2' HG13 ' A' ' 12' ' ' ILE . 2.3 m-80 -88.6 -82.09 0.25 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.97 1.419 . . . . 1.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.546 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 91.1 m-20 -71.2 -53.3 14.91 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.006 1.441 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 9.9 m 95.85 49.61 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.02 1.45 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.86 -173.5 4.72 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.993 1.433 . . . . 1.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 5.2 m -118.28 124.71 73.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.994 1.434 . . . . 1.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -99.16 147.19 25.36 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.024 1.452 . . . . 1.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.444 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 1.1 pt -106.77 99.76 27.38 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 124.939 1.4 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.0 91.54 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.489 2.793 . . . . 1.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 63.43 71.68 0.5 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.07 1.481 . . . . 1.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 3.3 tp10 -73.28 137.64 78.45 Favored Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.976 1.423 . . . . 1.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -75.04 71.88 4.87 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.483 2.789 . . . . 1.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.62 -41.71 0.05 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 109.298 -1.521 . . . . 1.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' ND2' ' CE1' ' A' ' 76' ' ' TYR . 35.7 m-80 -78.78 160.71 71.29 Favored Pre-proline 0 C--O 1.24 0.591 0 O-C-N 125.023 1.072 . . . . 1.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.3 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.539 2.826 . . . . 1.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 132.41 71.22 0.09 OUTLIER Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -121.58 -60.62 1.59 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.054 1.09 . . . . 1.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -139.87 -148.88 5.27 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.752 ' O ' HG22 ' A' ' 25' ' ' THR . 5.3 m120 -130.5 175.65 8.8 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.97 1.041 . . . . 1.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.414 ' CE1' ' ND2' ' A' ' 70' ' ' ASN . 3.0 m-85 -126.65 78.87 1.82 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.049 1.468 . . . . 1.0 109.301 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.6 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 9.2 m0 -72.21 128.28 35.17 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.037 1.46 . . . . 1.0 109.272 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 28.1 m -124.15 135.32 53.41 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.952 1.408 . . . . 1.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.622 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -71.63 131.41 43.15 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.015 1.447 . . . . 1.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -78.01 143.26 65.69 Favored Pre-proline 0 C--O 1.241 0.619 0 O-C-N 124.988 1.43 . . . . 1.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 56.19 4.19 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.475 2.784 . . . . 1.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.76 -54.82 1.83 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.035 1.459 . . . . 1.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.526 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 10.0 t -79.47 -71.03 0.47 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 83' ' ' SER . 5.3 pt-20 51.3 18.01 0.57 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.011 1.444 . . . . 1.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -83.36 -42.04 17.51 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.994 1.434 . . . . 1.0 109.242 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.7 mmt -73.39 -27.99 61.77 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -52.63 -41.57 63.86 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.969 1.418 . . . . 1.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -173.47 68.3 0.03 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.005 1.441 . . . . 1.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -60.4 -48.63 80.91 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.001 1.438 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.0 -64.7 1.83 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p 175.97 -57.01 0.01 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.006 1.063 . . . . 1.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.99 53.54 0.0 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.034 1.459 . . . . 1.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.345 0.395 0 O-C-N 124.997 1.436 . . . . 1.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mtm . . . . . 0 C--O 1.24 0.564 0 CA-C-O 118.416 -0.802 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.498 ' HB ' ' CE1' ' A' ' 39' ' ' TYR . 2.0 p -113.65 -37.95 2.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.977 1.423 . . . . 1.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -126.23 67.7 64.12 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 125.062 1.476 . . . . 1.0 109.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.479 ' HD3' ' C ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.97 175.66 10.93 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.483 2.788 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.5 Cg_endo -75.0 110.92 3.21 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.44 2.76 . . . . 1.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.635 ' CE1' ' CE2' ' A' ' 40' ' ' TYR . 2.3 p90 -140.76 -162.38 1.35 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.96 1.413 . . . . 1.0 109.264 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.553 ' OG ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -138.41 150.13 46.2 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.983 1.427 . . . . 1.0 109.324 -179.546 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.479 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -85.45 -69.61 0.65 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.959 1.412 . . . . 1.0 109.327 -179.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 10' ' ' ALA . 1.6 pp -53.52 -57.75 4.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.018 1.449 . . . . 1.0 109.36 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HB3' ' OG ' ' A' ' 7' ' ' SER . . . -50.29 -30.74 12.58 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.949 1.406 . . . . 1.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 7' ' ' SER . 1.2 tt -73.12 -34.76 66.32 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.994 1.434 . . . . 1.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.1 mp -81.42 -51.59 15.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.018 1.449 . . . . 1.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 9' ' ' ILE . 58.9 p -48.69 -36.28 15.8 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.98 1.425 . . . . 1.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.533 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 6.6 ptt? -76.99 -22.88 52.48 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.951 1.407 . . . . 1.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -79.59 -26.83 41.19 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.915 1.384 . . . . 1.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 12' ' ' ILE . 1.4 mp -79.56 -56.63 6.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.978 1.424 . . . . 1.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 3.6 pp -49.86 -28.77 6.96 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.943 1.402 . . . . 1.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -63.32 -13.42 38.64 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.08 1.487 . . . . 1.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 21' ' ' GLN . 17.8 m -115.59 81.79 9.39 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.02 25.38 0.38 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.518 2.812 . . . . 1.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 20.6 tt0 -116.56 -29.49 6.12 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 25.2 mtpt 95.06 30.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.978 1.424 . . . . 1.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -140.36 99.46 3.66 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.02 1.45 . . . . 1.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.431 HD13 ' OG ' ' A' ' 19' ' ' SER . 4.6 mm? -96.58 122.81 39.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.011 1.444 . . . . 1.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 75' ' ' ASN . 33.8 p -98.89 110.98 23.5 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.48 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -44.34 -40.67 5.49 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.031 1.457 . . . . 1.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.0 p -58.78 -39.31 80.67 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.97 1.418 . . . . 1.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -80.52 -31.51 36.89 Favored Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.328 -1.509 . . . . 1.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.48 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 3.5 mm -59.98 -58.05 8.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.986 1.051 . . . . 1.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.2 t -57.12 -42.94 81.81 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.022 1.451 . . . . 1.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -67.79 -33.87 75.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.977 1.423 . . . . 1.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 33' ' ' ILE . 7.2 t80 -65.06 -46.38 81.46 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.007 1.442 . . . . 1.0 109.358 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 32' ' ' PHE . 41.4 mm -63.33 -48.56 86.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.979 1.425 . . . . 1.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -24.31 67.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.961 1.413 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -67.52 -39.97 85.08 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.025 1.453 . . . . 1.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -91.52 -46.26 8.07 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.985 1.428 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.487 ' CE2' HD12 ' A' ' 11' ' ' LEU . 3.2 m-85 -122.71 79.0 48.42 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 125.0 1.437 . . . . 1.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -34.28 4.0 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.533 2.822 . . . . 1.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.498 ' CE1' ' HB ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -68.66 -30.37 69.05 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.981 1.426 . . . . 1.0 109.277 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.635 ' CE2' ' CE1' ' A' ' 6' ' ' TYR . 1.1 t80 -64.63 -47.57 78.05 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.963 1.414 . . . . 1.0 109.277 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -78.17 -41.82 33.55 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 1.0 109.285 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.03 -21.94 47.6 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.006 1.442 . . . . 1.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.494 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 0.8 OUTLIER -113.99 -19.96 11.21 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.015 1.447 . . . . 1.0 109.344 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.743 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -130.3 66.69 78.72 Favored Pre-proline 0 C--O 1.239 0.524 0 O-C-N 124.997 1.436 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -9.21 20.7 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.473 2.782 . . . . 1.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.23 -17.28 46.63 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.034 1.459 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -81.16 9.74 6.4 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.026 1.453 . . . . 1.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -47.81 84.56 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.007 1.442 . . . . 1.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -81.2 -27.95 35.12 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.039 1.462 . . . . 1.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 t -53.61 -44.32 69.37 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.014 1.446 . . . . 1.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.1 pt -72.94 -34.34 45.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.009 1.443 . . . . 1.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' NE ' HD11 ' A' ' 26' ' ' LEU . 45.0 mtt180 -58.25 -49.6 76.52 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.988 1.43 . . . . 1.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 22.5 t60 -61.69 -60.32 3.84 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.458 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 12.8 t-20 -56.1 -29.58 60.8 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.016 1.448 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 11.4 tp -67.57 -44.07 79.07 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.955 1.409 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 24.6 p -83.53 -27.82 29.08 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.016 1.447 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -81.97 -16.37 50.61 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.949 1.406 . . . . 1.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 45.9 m-20 -86.11 -76.42 0.34 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.02 1.45 . . . . 1.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 6.2 m-20 -66.77 -60.14 2.94 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.002 1.439 . . . . 1.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 25.9 m 97.69 31.06 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -76.77 -177.21 4.2 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.994 1.434 . . . . 1.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 14.8 m -110.81 123.74 66.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.015 1.447 . . . . 1.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.52 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 2.1 ptpt -97.46 165.41 12.02 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.015 1.447 . . . . 1.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.413 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 54.4 mt -110.27 93.09 14.8 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 125.023 1.452 . . . . 1.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.04 17.62 0.59 Allowed 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.495 2.797 . . . . 1.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 64' ' ' ILE . 43.3 ttt-85 176.56 85.86 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -75.2 123.99 89.06 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 124.992 1.432 . . . . 1.0 109.255 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.19 1.68 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.521 2.814 . . . . 1.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.403 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . -75.82 -42.77 24.75 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.482 ' HB2' ' CG ' ' A' ' 73' ' ' LYS . 2.8 p30 -119.56 78.2 20.74 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.978 1.046 . . . . 1.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' ' 69' ' ' GLY . 18.4 Cg_endo -74.99 69.12 5.62 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.504 2.803 . . . . 1.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.43 63.17 0.15 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.313 -1.515 . . . . 1.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 70' ' ' ASN . 41.9 mmtm -143.81 -86.42 0.13 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.005 1.062 . . . . 1.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . -142.22 -126.45 2.12 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.811 ' O ' HG22 ' A' ' 25' ' ' THR . 84.5 m-20 -165.86 170.01 14.28 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.048 . . . . 1.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 8.2 m-85 -136.6 90.79 2.59 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.001 1.438 . . . . 1.0 109.292 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.614 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 4.4 m0 -82.64 131.87 35.2 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.0 1.438 . . . . 1.0 109.309 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.563 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 4.5 m -119.27 138.3 53.1 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.493 ' CD1' ' HB3' ' A' ' 59' ' ' ASP . 1.8 tp -70.36 119.84 15.14 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.029 1.456 . . . . 1.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -71.03 -52.11 9.9 Favored Pre-proline 0 C--O 1.241 0.609 0 O-C-N 124.96 1.413 . . . . 1.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.4 Cg_endo -74.99 64.25 6.03 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.543 2.829 . . . . 1.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 174.73 -56.62 0.01 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.009 1.443 . . . . 1.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.73 -68.79 0.56 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 1.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 2.8 tm-20 -52.55 -41.18 63.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.045 1.466 . . . . 1.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -58.65 -50.75 72.69 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.004 1.44 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 mtt -58.07 -23.6 55.23 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.011 1.444 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 84' ' ' GLU . 5.3 t80 -58.36 -52.38 65.85 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.993 1.433 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 175.49 66.55 0.0 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.973 1.421 . . . . 1.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -80.23 -55.67 4.75 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.944 1.402 . . . . 1.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.06 -57.31 3.04 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 40.0 p 57.21 48.74 14.63 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.956 1.033 . . . . 1.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' A' ' 91' ' ' SER . 47.8 p90 47.22 34.18 2.92 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.998 1.436 . . . . 1.0 109.372 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 42.3 tp . . . . . 0 C--N 1.346 0.43 0 O-C-N 124.96 1.413 . . . . 1.0 109.261 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.445 -0.788 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.427 HG11 ' CD2' ' A' ' 40' ' ' TYR . 22.8 m 42.51 29.48 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.951 1.407 . . . . 1.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.507 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 9.9 mttm -61.38 -53.57 61.07 Favored Pre-proline 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -74.99 153.21 41.65 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.552 2.835 . . . . 1.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.0 163.0 36.21 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.509 2.806 . . . . 1.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -138.44 -170.68 2.88 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.019 1.449 . . . . 1.0 109.303 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.75 135.78 49.41 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.049 1.468 . . . . 1.0 109.294 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 50' ' ' SER . 0.7 OUTLIER -80.09 -51.96 8.37 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.965 1.416 . . . . 1.0 109.317 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.895 ' O ' HG23 ' A' ' 13' ' ' THR . 0.2 OUTLIER -53.36 -41.73 45.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 124.957 1.411 . . . . 1.0 109.308 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -70.1 -21.22 63.14 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.974 1.421 . . . . 1.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.501 HD23 ' CD1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -80.84 -36.48 31.46 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.003 1.439 . . . . 1.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CD1' HD23 ' A' ' 11' ' ' LEU . 1.4 mp -80.82 -36.8 15.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.029 1.456 . . . . 1.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.895 HG23 ' O ' ' A' ' 9' ' ' ILE . 2.9 p -46.99 -42.33 17.8 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.015 1.447 . . . . 1.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.432 ' HE3' ' HD2' ' A' ' 36' ' ' ARG . 6.8 ptt? -82.8 -24.1 33.55 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.962 1.414 . . . . 1.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -68.43 -56.15 9.43 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -44.0 -48.55 2.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 124.977 1.423 . . . . 1.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.406 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 3.3 mp -50.08 -25.96 3.96 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.966 1.416 . . . . 1.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 36.4 mm-40 -45.79 -27.8 0.92 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.991 1.432 . . . . 1.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.5 m -102.87 104.16 37.76 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 125.023 1.452 . . . . 1.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.05 0.74 8.57 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.478 2.785 . . . . 1.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 22' ' ' LYS . 1.6 tp60 -124.75 -82.24 0.64 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.977 1.423 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.811 ' O ' HG22 ' A' ' 78' ' ' THR . 1.6 ptmt 178.29 39.06 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.014 1.446 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CG ' ' HB2' ' A' ' 76' ' ' TYR . 5.0 mptt -132.7 90.62 2.79 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.0 1.437 . . . . 1.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -77.48 114.86 16.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.989 1.43 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.2 p -101.81 98.4 8.65 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.943 1.402 . . . . 1.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -51.91 -21.62 3.15 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.983 1.427 . . . . 1.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 p -75.4 -24.47 57.17 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.026 1.454 . . . . 1.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' GLU . . . -81.17 -57.75 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -43.53 -45.53 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.989 1.052 . . . . 1.0 109.328 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.9 t -50.47 -37.2 37.17 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLY . 8.1 tp10 -82.07 -31.55 30.78 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.974 1.421 . . . . 1.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.662 ' CE2' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -79.92 -55.6 4.85 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.027 1.454 . . . . 1.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.662 ' CD1' ' CE2' ' A' ' 32' ' ' PHE . 4.8 mm -56.47 -38.69 57.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.973 1.421 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -79.89 -24.4 41.18 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.991 1.432 . . . . 1.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 32' ' ' PHE . 1.1 m-20 -61.12 -49.0 79.04 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.002 1.439 . . . . 1.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HD2' ' HE3' ' A' ' 14' ' ' MET . 0.1 OUTLIER -89.6 -25.78 21.13 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.014 1.446 . . . . 1.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 36' ' ' ARG . 9.8 m-85 -128.99 69.23 80.76 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 124.974 1.421 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 36' ' ' ARG . 18.1 Cg_endo -75.05 -56.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.482 2.788 . . . . 1.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -53.59 -23.84 12.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.972 1.42 . . . . 1.0 109.264 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' CD2' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -65.28 -38.06 89.1 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.965 1.415 . . . . 1.0 109.298 -179.334 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -61.95 -53.6 53.34 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.942 1.401 . . . . 1.0 109.324 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -38.67 75.17 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.978 1.423 . . . . 1.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -53.21 18.09 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.959 1.412 . . . . 1.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.4 t80 -133.38 96.18 17.39 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.992 1.432 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.81 10.4 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.479 2.786 . . . . 1.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -84.92 23.84 1.15 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.949 1.405 . . . . 1.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 32.2 m95 -68.16 -58.4 4.51 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.998 1.436 . . . . 1.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.55 ' CD ' ' CD1' ' A' ' 26' ' ' LEU . 8.8 tt0 -50.15 -36.37 29.82 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.046 1.466 . . . . 1.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -72.56 -48.09 42.82 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 3.0 p -65.6 -60.88 2.46 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.979 1.424 . . . . 1.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.732 ' O ' ' N ' ' A' ' 55' ' ' LEU . 7.5 pt -48.28 -54.43 4.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.007 1.442 . . . . 1.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' N ' ' CG1' ' A' ' 51' ' ' ILE . 0.3 OUTLIER -44.73 -39.42 5.16 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.015 1.447 . . . . 1.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -71.97 -54.98 8.29 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.952 1.408 . . . . 1.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -66.47 -29.0 69.03 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.016 1.447 . . . . 1.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 51' ' ' ILE . 2.9 mt -54.73 -54.28 44.03 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.986 1.429 . . . . 1.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -74.96 -26.47 59.61 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.07 16.7 2.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.007 1.442 . . . . 1.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.55 -83.27 0.6 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.003 1.439 . . . . 1.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.555 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.6 m-20 -81.97 -39.23 23.95 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.997 1.436 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 6.1 m 92.24 52.32 0.0 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.036 1.46 . . . . 1.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -92.06 -170.57 2.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.051 1.469 . . . . 1.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 3.3 t -118.04 135.66 57.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.025 1.453 . . . . 1.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.628 ' HB3' ' CE2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -103.36 142.75 33.68 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.289 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.565 ' N ' ' HD3' ' A' ' 65' ' ' PRO . 1.1 pp -130.72 58.46 38.94 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 125.016 1.448 . . . . 1.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 33.61 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.52 2.813 . . . . 1.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 64' ' ' ILE . 5.4 ttm180 -173.96 63.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.988 1.43 . . . . 1.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -89.27 134.06 33.72 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 125.039 1.462 . . . . 1.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 36.33 0.44 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.5 2.8 . . . . 1.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.568 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 157.42 74.71 0.02 OUTLIER Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.288 -1.525 . . . . 1.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 1.4 m-20 -125.15 63.49 41.93 Favored Pre-proline 0 C--O 1.24 0.583 0 O-C-N 124.93 1.017 . . . . 1.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.568 ' HD3' ' C ' ' A' ' 69' ' ' GLY . 18.4 Cg_endo -74.9 53.98 3.46 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.544 2.83 . . . . 1.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.17 -87.96 1.13 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.31 -55.0 0.44 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.005 1.062 . . . . 1.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -145.32 -109.23 0.61 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.32 -172.39 2.61 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.021 1.071 . . . . 1.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.542 ' CD1' HD11 ' A' ' 64' ' ' ILE . 3.7 p90 -158.65 118.84 3.22 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.961 1.413 . . . . 1.0 109.316 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.628 ' CE2' ' HB3' ' A' ' 63' ' ' LYS . 3.3 m0 -94.23 153.36 18.1 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.058 1.474 . . . . 1.0 109.275 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 22' ' ' LYS . 65.3 p -131.43 144.97 51.57 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.983 1.427 . . . . 1.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.497 HD22 ' CB ' ' A' ' 83' ' ' SER . 0.1 OUTLIER -71.35 152.47 43.16 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.002 1.439 . . . . 1.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.526 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -79.38 -52.19 1.17 Allowed Pre-proline 0 C--O 1.239 0.524 0 O-C-N 125.052 1.47 . . . . 1.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.6 Cg_endo -74.91 -16.43 20.46 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.51 2.807 . . . . 1.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 74.44 49.96 0.1 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.976 1.422 . . . . 1.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' HD22 ' A' ' 79' ' ' LEU . 2.9 t -73.69 -35.6 65.18 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.97 1.419 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.9 -35.15 79.1 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.984 1.428 . . . . 1.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -55.76 14.67 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.06 1.475 . . . . 1.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.486 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -79.9 -73.46 0.35 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.965 1.415 . . . . 1.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 86' ' ' MET . 0.1 OUTLIER 158.39 -61.78 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.991 1.432 . . . . 1.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -137.99 29.12 2.56 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.987 1.43 . . . . 1.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -78.36 -32.86 49.22 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.984 1.428 . . . . 1.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 91' ' ' SER . . . -70.92 -64.32 2.85 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 90' ' ' GLY . 6.3 p 159.72 79.44 0.0 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.002 1.06 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.55 -62.98 1.45 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.958 1.411 . . . . 1.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.345 0.386 0 O-C-N 124.952 1.407 . . . . 1.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.423 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.555 0 CA-C-O 118.386 -0.816 . . . . 1.0 109.291 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.532 HG12 ' CZ ' ' A' ' 39' ' ' TYR . 3.6 m 41.99 27.62 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.02 1.45 . . . . 1.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.557 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -73.91 -60.38 1.56 Allowed Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.996 1.435 . . . . 1.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -74.99 110.72 3.17 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.521 2.814 . . . . 1.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.04 166.25 29.55 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.52 2.813 . . . . 1.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CE2' ' OH ' ' A' ' 40' ' ' TYR . 2.0 m-85 -119.92 -78.8 0.59 Allowed 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.994 1.434 . . . . 1.0 109.31 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 36.5 t -143.48 120.38 11.3 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.008 1.443 . . . . 1.0 109.276 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -75.54 -50.06 16.79 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.964 1.415 . . . . 1.0 109.305 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 10' ' ' ALA . 28.9 pt -57.12 -39.91 69.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.32 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 7' ' ' SER . . . -54.2 -40.29 67.46 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.029 1.456 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 7' ' ' SER . 41.8 mt -71.56 -47.18 56.65 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.986 1.429 . . . . 1.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.5 ' CG2' HD23 ' A' ' 55' ' ' LEU . 5.7 mm -60.99 -40.55 85.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.037 1.46 . . . . 1.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -45.04 -42.04 8.12 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 1.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.456 ' CE ' ' CZ ' ' A' ' 36' ' ' ARG . 23.4 ttp -79.67 -31.26 41.4 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.69 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -64.15 -44.99 90.43 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.511 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -75.15 -34.66 32.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.017 1.448 . . . . 1.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.69 -44.6 96.34 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.94 1.4 . . . . 1.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -47.44 -24.61 0.85 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.034 1.459 . . . . 1.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.426 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.5 p -71.78 114.47 28.9 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.019 1.449 . . . . 1.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.18 10.88 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.523 2.816 . . . . 1.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.76 -82.87 0.23 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.004 1.44 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.83 38.71 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 1.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 76' ' ' TYR . 11.9 mttm -131.27 105.73 7.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.031 1.457 . . . . 1.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 3.5 mm? -104.62 111.07 23.62 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.98 1.425 . . . . 1.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.818 HG22 ' O ' ' A' ' 75' ' ' ASN . 53.0 p -85.67 104.47 15.42 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.99 1.431 . . . . 1.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HG ' ' CD ' ' A' ' 52' ' ' ARG . 2.5 tm? -43.09 -29.34 0.35 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.945 1.403 . . . . 1.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.0 m -76.29 -42.49 45.23 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.84 -21.68 65.47 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 mp -74.41 -46.74 42.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 125.014 1.067 . . . . 1.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 p -56.89 -35.76 69.34 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.967 1.417 . . . . 1.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 4.7 tt0 -73.92 -44.99 53.31 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.032 1.458 . . . . 1.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.69 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -51.41 -45.08 62.41 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.036 1.46 . . . . 1.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.84 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 4.5 mt -79.51 -27.1 12.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 124.995 1.434 . . . . 1.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -65.47 -28.96 69.58 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.643 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 1.6 p-10 -85.45 -2.03 57.68 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.04 1.463 . . . . 1.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.555 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 2.4 ptt180 -135.56 6.14 3.22 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.977 1.423 . . . . 1.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.84 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 2.2 m-85 -131.16 72.9 81.16 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.036 1.46 . . . . 1.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' O ' ' HB2' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.03 -66.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.498 2.799 . . . . 1.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CZ ' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -80.99 1.02 33.03 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.969 1.418 . . . . 1.0 109.313 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.611 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -86.34 -50.42 6.94 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.937 1.398 . . . . 1.0 109.274 -179.32 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -84.35 -41.91 16.28 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -66.06 -7.03 15.0 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.018 1.449 . . . . 1.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -107.81 -49.29 3.25 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.44 . . . . 1.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.745 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.1 t80 -131.11 71.27 82.28 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.03 1.456 . . . . 1.0 109.225 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -4.85 16.01 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.537 2.825 . . . . 1.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . . . -80.93 -20.09 42.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.997 1.436 . . . . 1.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.745 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.69 12.07 5.14 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.982 1.426 . . . . 1.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.8 -44.59 90.82 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.974 1.421 . . . . 1.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -81.37 -38.54 26.45 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.024 1.452 . . . . 1.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -48.27 -40.69 25.61 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.045 1.466 . . . . 1.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.521 HD11 ' CE2' ' A' ' 47' ' ' TRP . 88.2 mt -66.71 -41.29 87.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 1.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.517 ' CD ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.1 -42.53 76.92 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.988 1.43 . . . . 1.0 109.358 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.503 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -57.35 -57.93 10.5 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.019 1.449 . . . . 1.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.41 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 21.9 t-20 -65.68 -24.17 66.94 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.982 1.426 . . . . 1.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.509 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -59.01 -51.97 67.77 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.0 1.438 . . . . 1.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 3.9 t -84.88 -17.89 36.51 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 1.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.3 mm? -83.23 -15.3 50.92 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.021 1.451 . . . . 1.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -88.12 -84.81 0.19 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.021 1.45 . . . . 1.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.4 m-20 -61.36 -54.37 44.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.001 1.438 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 94.62 44.14 0.0 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.001 1.438 . . . . 1.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -85.67 -176.23 5.96 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.03 1.456 . . . . 1.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 84.0 t -112.6 127.04 70.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.965 1.415 . . . . 1.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HB2' ' NE1' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -105.71 137.6 43.3 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.949 1.406 . . . . 1.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.556 HG21 ' CG ' ' A' ' 67' ' ' GLU . 3.0 mp -88.77 111.37 43.91 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.007 1.442 . . . . 1.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 -9.05 20.6 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.477 2.785 . . . . 1.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.57 84.78 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.556 ' CG ' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -68.42 148.21 98.17 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 124.995 1.435 . . . . 1.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.01 -1.63 11.49 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.499 2.799 . . . . 1.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.44 41.67 1.43 Allowed Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.402 ' OD1' ' HD2' ' A' ' 71' ' ' PRO . 39.9 t30 -137.55 130.78 17.03 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 125.033 1.078 . . . . 1.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -75.05 -36.46 2.51 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.543 2.829 . . . . 1.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.16 67.03 0.07 OUTLIER Glycine 0 C--N 1.345 1.031 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.45 -66.36 1.07 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.966 1.039 . . . . 1.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.87 -127.59 2.34 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.818 ' O ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -168.32 177.15 5.53 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.988 1.052 . . . . 1.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.503 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -127.6 97.34 4.82 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.996 1.435 . . . . 1.0 109.316 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.506 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 14.1 m0 -80.71 133.42 35.68 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.976 1.423 . . . . 1.0 109.279 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 30.8 p -120.59 133.62 55.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.993 1.433 . . . . 1.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.68 133.55 46.74 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.983 1.427 . . . . 1.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 1.4 p-10 -70.16 118.05 60.11 Favored Pre-proline 0 C--O 1.239 0.51 0 O-C-N 125.037 1.461 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 57.25 4.52 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.49 2.794 . . . . 1.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 176.57 45.7 0.0 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.005 1.441 . . . . 1.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 90' ' ' GLY . 63.7 p -80.0 -47.52 14.8 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.97 1.419 . . . . 1.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.88 34.1 3.75 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.964 1.415 . . . . 1.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -77.0 -41.55 42.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.021 1.451 . . . . 1.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.427 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -73.41 -66.82 0.64 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.987 1.429 . . . . 1.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 86' ' ' MET . 34.4 p90 174.84 -53.92 0.01 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.003 1.439 . . . . 1.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.401 ' N ' ' CD2' ' A' ' 87' ' ' PHE . 72.3 m-20 -141.7 31.5 1.65 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.022 1.451 . . . . 1.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -79.22 -51.74 9.08 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.039 1.462 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 83' ' ' SER . . . -63.63 -54.67 29.9 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.27 -1.532 . . . . 1.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.5 t -63.23 -56.26 18.12 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.005 1.062 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.1 t80 64.93 57.89 0.97 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.963 1.415 . . . . 1.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.398 0 O-C-N 125.021 1.451 . . . . 1.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttt . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.313 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.515 HG11 ' CG ' ' A' ' 39' ' ' TYR . 32.3 m -107.44 -46.32 7.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.978 1.424 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -162.75 143.14 7.38 Favored Pre-proline 0 C--O 1.24 0.557 0 O-C-N 125.005 1.441 . . . . 1.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -74.99 169.34 22.85 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.479 2.786 . . . . 1.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 18.5 Cg_endo -74.93 156.7 43.32 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.512 2.808 . . . . 1.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -119.22 -83.03 0.65 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.425 . . . . 1.0 109.3 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 m -141.03 142.58 34.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.048 1.467 . . . . 1.0 109.274 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -47.26 13.57 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.985 1.428 . . . . 1.0 109.273 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.784 ' O ' HG23 ' A' ' 13' ' ' THR . 22.6 pt -61.29 -48.0 90.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 125.027 1.454 . . . . 1.0 109.337 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -55.03 -24.84 26.69 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.954 1.409 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.56 HD11 ' CE2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -80.92 -45.27 17.0 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.019 1.449 . . . . 1.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.578 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.8 mp -74.14 -45.72 47.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.988 1.43 . . . . 1.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.784 HG23 ' O ' ' A' ' 9' ' ' ILE . 17.6 p -41.22 -34.51 0.49 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.993 1.433 . . . . 1.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -83.87 -33.03 24.9 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.944 1.402 . . . . 1.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.792 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -63.18 -47.38 82.88 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.993 1.433 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 79' ' ' LEU . 2.2 tp -49.28 -42.71 15.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.034 1.459 . . . . 1.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.0 mm? -51.68 -31.64 26.63 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.95 1.406 . . . . 1.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.792 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -42.49 -31.65 0.46 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 1.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -127.11 99.2 28.75 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.79 10.39 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.487 2.791 . . . . 1.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.61 -76.76 0.6 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 1.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.724 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER 167.37 42.5 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.029 1.456 . . . . 1.0 109.334 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.31 93.9 2.63 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.003 1.439 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' A' ' 16' ' ' ILE . 1.1 mp -106.6 119.93 40.6 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.015 1.447 . . . . 1.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 75' ' ' ASN . 52.7 p -95.42 102.68 14.51 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.952 1.408 . . . . 1.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 2.8 tm? -45.24 -30.26 1.18 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t -60.29 -45.86 91.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 1.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.15 -24.33 61.67 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 34.7 mm -60.39 -54.16 38.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 125.067 1.098 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 t -54.57 -44.99 73.45 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.99 1.431 . . . . 1.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -66.51 -31.96 73.01 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.04 1.463 . . . . 1.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.654 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 1.1 t80 -67.44 -43.7 80.5 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.004 1.44 . . . . 1.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.557 HD13 ' CE2' ' A' ' 32' ' ' PHE . 49.3 mm -62.57 -58.47 7.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.054 1.471 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.7 p -59.81 -18.66 45.48 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.93 1.394 . . . . 1.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.67 -38.14 80.67 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.98 1.425 . . . . 1.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.567 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -128.03 6.88 6.01 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 88.1 m-85 -142.16 62.03 13.14 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.947 1.404 . . . . 1.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.98 -47.24 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.549 2.833 . . . . 1.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.515 ' CG ' HG11 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -70.82 -21.81 62.41 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.019 1.45 . . . . 1.0 109.295 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CD1' ' CH2' ' A' ' 47' ' ' TRP . 1.4 t80 -68.51 -49.44 59.6 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.025 1.453 . . . . 1.0 109.278 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -73.38 -33.5 65.07 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.446 . . . . 1.0 109.293 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -14.56 62.01 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.0 10.77 10.18 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.451 . . . . 1.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.81 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.9 t80 -178.83 65.01 0.17 Allowed Pre-proline 0 C--O 1.24 0.594 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.99 -17.75 19.32 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.515 2.81 . . . . 1.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.21 -17.07 64.51 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.01 1.444 . . . . 1.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.81 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -80.14 -1.1 38.76 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.984 1.427 . . . . 1.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -60.46 -41.72 94.73 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.029 1.456 . . . . 1.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 9.2 t30 -80.43 -39.14 28.8 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.008 1.442 . . . . 1.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.44 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 89.3 p -56.34 -48.95 75.72 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.971 1.419 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 81.9 mt -51.29 -30.82 10.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.439 . . . . 1.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' NE ' ' HG ' ' A' ' 26' ' ' LEU . 12.4 mtp180 -80.21 -37.94 32.15 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.985 1.428 . . . . 1.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -60.04 -61.32 2.7 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -25.68 67.93 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.99 1.431 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.569 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 1.4 mt -58.14 -53.18 61.21 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.005 1.441 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.478 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 3.1 t -81.94 -17.72 46.07 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.8 mp -81.28 -12.0 59.2 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.005 1.44 . . . . 1.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -98.79 -84.45 0.4 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.992 1.432 . . . . 1.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.622 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.1 m-20 -55.64 -52.84 62.46 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.966 1.416 . . . . 1.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER 95.26 37.46 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.002 1.439 . . . . 1.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -84.88 -176.65 6.31 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.452 . . . . 1.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -119.33 127.0 75.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.041 1.463 . . . . 1.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -104.88 142.38 34.85 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.948 1.405 . . . . 1.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 1.0 OUTLIER -125.87 70.44 66.59 Favored Pre-proline 0 C--O 1.239 0.528 0 O-C-N 124.901 1.376 . . . . 1.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.06 42.3 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.479 2.786 . . . . 1.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER 174.8 68.81 0.0 OUTLIER 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.415 . . . . 1.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 69' ' ' GLY . 10.6 tt0 -110.17 117.01 52.51 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.043 1.464 . . . . 1.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 26.17 0.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.473 2.782 . . . . 1.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.486 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . -153.74 34.43 0.74 Allowed Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.285 -1.526 . . . . 1.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.487 ' ND2' ' CE2' ' A' ' 76' ' ' TYR . 50.3 t-20 -127.96 65.63 69.24 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 125.03 1.077 . . . . 1.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.486 ' HD3' ' C ' ' A' ' 69' ' ' GLY . 18.4 Cg_endo -75.01 60.89 5.57 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.477 2.785 . . . . 1.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.48 -85.18 0.69 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.267 -1.533 . . . . 1.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -140.97 -55.89 0.5 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.044 . . . . 1.0 109.337 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.33 -115.49 1.12 Allowed Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.27 -1.532 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 25' ' ' THR . 12.0 p30 -131.87 -165.28 1.56 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.022 1.072 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.487 ' CE2' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -157.42 136.8 11.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.993 1.433 . . . . 1.0 109.339 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.549 ' N ' ' CD1' ' A' ' 77' ' ' TRP . 2.3 m0 -95.68 145.87 24.95 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.995 1.434 . . . . 1.0 109.251 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 22' ' ' LYS . 37.1 p -126.59 136.1 52.1 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.998 1.436 . . . . 1.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.544 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -72.66 131.01 41.85 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.452 . . . . 1.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -118.21 148.23 43.28 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 41.21 0.72 Allowed 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.503 2.802 . . . . 1.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -25.23 19.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.439 . . . . 1.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 t -70.54 -67.44 0.5 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.984 1.428 . . . . 1.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.59 10.93 1.55 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.037 1.461 . . . . 1.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -80.53 -48.59 12.54 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.041 1.463 . . . . 1.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -80.63 -75.67 0.26 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.02 1.45 . . . . 1.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 38.15 33.82 0.06 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.998 1.436 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -178.69 -74.8 0.01 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.994 1.434 . . . . 1.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -60.41 -19.96 57.95 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.48 96.26 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.309 -1.517 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.66 39.26 17.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.981 1.048 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -75.9 -52.58 9.99 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.982 1.426 . . . . 1.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--N 1.345 0.41 0 O-C-N 124.948 1.405 . . . . 1.0 109.286 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.586 0 CA-C-O 118.371 -0.823 . . . . 1.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 4' ' ' PRO . 3.8 t -136.51 -71.74 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.999 1.437 . . . . 1.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 2' ' ' VAL . 5.1 tmtt? -27.91 90.55 0.05 OUTLIER Pre-proline 0 C--O 1.239 0.548 0 O-C-N 124.988 1.43 . . . . 1.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.547 ' N ' ' O ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.98 173.99 13.55 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.507 2.805 . . . . 1.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 91.73 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.496 2.798 . . . . 1.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -126.81 174.23 8.95 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.026 1.454 . . . . 1.0 109.278 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.97 167.31 20.51 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.012 1.445 . . . . 1.0 109.262 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.5 m-85 -81.16 -70.87 0.5 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.058 1.474 . . . . 1.0 109.303 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -47.76 -37.6 6.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.034 1.459 . . . . 1.0 109.325 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.01 -30.43 71.41 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.985 1.428 . . . . 1.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.676 ' CD2' ' CZ ' ' A' ' 37' ' ' PHE . 2.9 tm? -71.9 -57.28 4.45 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.992 1.433 . . . . 1.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 16' ' ' ILE . 2.1 mp -59.16 -42.41 86.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 125.028 1.455 . . . . 1.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -47.08 -37.52 9.74 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.001 1.438 . . . . 1.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.484 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 32.9 ttp -82.76 -35.14 26.81 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.982 1.426 . . . . 1.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -71.1 -30.19 66.23 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.931 1.394 . . . . 1.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.544 HD13 ' CE2' ' A' ' 61' ' ' PHE . 11.2 tp -79.65 -51.25 16.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.43 . . . . 1.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 0.9 OUTLIER -60.65 -28.37 68.52 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.987 1.43 . . . . 1.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 2.6 pp0? -49.6 -25.38 2.74 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.989 1.43 . . . . 1.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -69.4 114.79 26.57 Favored Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.03 1.456 . . . . 1.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -75.01 -1.42 11.21 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.492 2.794 . . . . 1.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -140.01 -83.91 0.24 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.971 1.419 . . . . 1.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.534 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER -179.43 37.29 0.0 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.02 1.45 . . . . 1.0 109.324 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -142.86 108.08 4.99 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.031 1.457 . . . . 1.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HB2' HD11 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -117.2 128.66 55.32 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.031 1.457 . . . . 1.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 75' ' ' ASN . 29.2 p -95.95 119.37 34.32 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.98 1.425 . . . . 1.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -49.66 -38.44 32.54 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 1.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.8 p -52.7 -39.18 61.76 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -79.07 -30.96 44.63 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.469 HD11 ' HB2' ' A' ' 24' ' ' LEU . 1.7 mp -59.05 -37.87 70.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 124.95 1.029 . . . . 1.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.43 -56.55 11.87 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.014 1.446 . . . . 1.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -67.25 -33.48 75.42 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' GLY . 1.5 t80 -56.89 -32.25 65.69 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.019 1.449 . . . . 1.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mt -75.18 -57.32 6.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 125.0 1.437 . . . . 1.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 t -54.72 -18.36 4.56 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.965 1.416 . . . . 1.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 10.6 m120 -74.5 -44.56 50.76 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.971 1.419 . . . . 1.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -90.21 -47.81 7.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.995 1.434 . . . . 1.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.676 ' CZ ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -119.0 81.79 20.27 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 125.005 1.441 . . . . 1.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.25 5.6 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.531 2.821 . . . . 1.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -26.5 59.53 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.014 1.446 . . . . 1.0 109.292 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CG ' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -65.2 -55.03 20.87 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.02 1.45 . . . . 1.0 109.299 -179.351 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -59.7 -41.37 90.62 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.26 -7.82 53.16 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.019 1.45 . . . . 1.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.61 -46.27 4.39 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.988 1.43 . . . . 1.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.739 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.4 t80 -138.28 73.56 43.46 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.037 1.46 . . . . 1.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.95 17.45 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.514 2.809 . . . . 1.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.74 -11.01 59.68 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.979 1.424 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.739 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -89.48 18.27 5.49 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.469 . . . . 1.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.68 -52.15 58.77 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.031 1.457 . . . . 1.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 36.9 t30 -80.32 -27.15 38.46 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.976 1.423 . . . . 1.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.54 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 38.8 m -53.84 -44.27 70.16 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.405 ' CG1' HD11 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -72.43 -28.09 27.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.001 1.438 . . . . 1.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.508 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 20.8 mtm180 -65.07 -43.45 92.19 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.957 1.411 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -59.84 -53.34 59.08 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.0 1.437 . . . . 1.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.484 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 5.1 m120 -69.26 -25.78 64.44 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.949 1.406 . . . . 1.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.586 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 11.7 tp -59.39 -50.93 72.05 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 1.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.563 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.1 t -77.94 -27.01 49.24 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.015 1.447 . . . . 1.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.2 mp -84.38 5.42 27.19 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.999 1.437 . . . . 1.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' OD1' ' OD2' ' A' ' 59' ' ' ASP . 14.6 t-20 -94.83 -83.37 0.35 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.031 1.457 . . . . 1.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.584 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 21.3 m-20 -79.55 -27.21 41.28 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.961 1.413 . . . . 1.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 75.34 33.67 0.67 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.997 1.436 . . . . 1.0 109.271 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -67.83 -176.17 0.63 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -112.51 125.75 69.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 125.04 1.462 . . . . 1.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -107.83 151.24 26.0 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.95 1.406 . . . . 1.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 1.3 mp -110.78 95.85 25.8 Favored Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 5.02 4.24 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.512 2.808 . . . . 1.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.86 83.15 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 69' ' ' GLY . 13.0 tp10 -70.87 132.64 86.69 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 125.007 1.442 . . . . 1.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 34.32 0.39 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.534 2.823 . . . . 1.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 67' ' ' GLU . . . 167.56 53.48 0.03 OUTLIER Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.321 -1.512 . . . . 1.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -96.27 159.78 31.25 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.005 1.062 . . . . 1.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -33.46 4.5 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.526 2.818 . . . . 1.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 115.16 54.43 0.38 Allowed Glycine 0 C--N 1.344 1.026 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -137.62 -80.07 0.37 Allowed 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.989 1.052 . . . . 1.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -139.84 -123.49 2.04 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.287 -1.525 . . . . 1.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.709 ' O ' HG22 ' A' ' 25' ' ' THR . 4.1 m-80 -153.73 -156.09 0.65 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.04 1.082 . . . . 1.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -155.77 112.75 3.22 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.005 1.44 . . . . 1.0 109.324 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 3.0 m0 -89.54 129.67 35.98 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.0 1.438 . . . . 1.0 109.276 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 48.9 p -114.44 141.77 47.24 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.029 1.456 . . . . 1.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.505 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -74.32 124.05 25.75 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.969 1.418 . . . . 1.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -113.0 122.97 34.58 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.041 1.463 . . . . 1.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.91 4.11 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.451 2.768 . . . . 1.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.503 ' HG2' ' CB ' ' A' ' 85' ' ' ASP . 2.9 tt0 70.58 44.44 0.67 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.8 t -82.13 -21.81 36.47 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.431 . . . . 1.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.409 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 4.0 pt-20 -86.02 -33.26 21.09 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.98 1.425 . . . . 1.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.503 ' CB ' ' HG2' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -80.28 -47.42 14.58 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 87' ' ' PHE . 4.1 ptt? -47.61 -33.77 7.06 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.947 1.404 . . . . 1.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.594 ' O ' ' CG ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -111.04 24.65 12.66 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.985 1.428 . . . . 1.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 t70 177.12 57.37 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.014 1.446 . . . . 1.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' ASP . 21.5 m-80 -79.08 -56.95 3.99 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.963 1.415 . . . . 1.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.17 -71.15 1.29 Allowed Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.1 p 164.69 76.99 0.0 OUTLIER 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.968 1.04 . . . . 1.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -129.33 -53.05 1.18 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.027 1.454 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tp . . . . . 0 C--N 1.345 0.385 0 O-C-N 125.085 1.491 . . . . 1.0 109.297 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.408 ' O ' HG12 ' A' ' 2' ' ' VAL . 11.9 mmt . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.436 -0.793 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.482 HG23 ' CZ ' ' A' ' 40' ' ' TYR . 6.1 p 41.67 29.47 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.951 1.407 . . . . 1.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.619 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -76.3 -46.5 3.51 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.979 1.424 . . . . 1.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.03 177.36 8.7 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.501 2.8 . . . . 1.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.05 177.62 8.36 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.475 2.783 . . . . 1.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.653 ' CZ ' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -140.61 155.38 46.57 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.01 1.444 . . . . 1.0 109.29 -179.767 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.53 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 1.3 p -127.34 136.6 52.14 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.003 1.439 . . . . 1.0 109.334 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.433 ' OH ' ' CB ' ' A' ' 50' ' ' SER . 3.6 m-85 -82.57 -68.37 0.71 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.959 1.412 . . . . 1.0 109.284 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 13' ' ' THR . 1.8 pp -45.98 -52.68 2.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.016 1.447 . . . . 1.0 109.316 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -52.15 -29.43 22.06 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.012 1.445 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -82.26 -55.12 4.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.963 1.414 . . . . 1.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.5 mp -51.43 -48.57 34.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 125.01 1.443 . . . . 1.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 9' ' ' ILE . 13.6 p -39.64 -41.72 1.09 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.989 1.43 . . . . 1.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.1 ttp -81.98 -36.84 27.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.015 1.447 . . . . 1.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -57.94 -30.57 66.06 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.003 1.44 . . . . 1.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.493 HG21 ' CD1' ' A' ' 79' ' ' LEU . 50.3 mm -71.34 -34.43 53.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.982 1.426 . . . . 1.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.39 -29.36 69.87 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.934 1.396 . . . . 1.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 12.1 mm-40 -44.73 -26.99 0.44 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.437 . . . . 1.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.414 ' OG ' HD22 ' A' ' 24' ' ' LEU . 24.6 m -100.06 106.06 39.17 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.012 1.445 . . . . 1.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.1 Cg_endo -75.04 1.42 7.78 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.539 2.826 . . . . 1.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -84.32 0.65 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.985 1.428 . . . . 1.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.82 40.5 0.0 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.0 1.438 . . . . 1.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.555 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -140.97 109.41 5.9 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.026 1.454 . . . . 1.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 HD11 ' O ' ' A' ' 15' ' ' ALA . 2.7 mm? -94.12 130.15 40.42 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.012 1.445 . . . . 1.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 75' ' ' ASN . 73.3 p -104.06 107.59 18.55 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.908 1.38 . . . . 1.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 4.1 tp -46.9 -30.12 2.37 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.982 1.426 . . . . 1.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.4 m -65.02 -44.14 90.17 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 1.0 109.252 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -78.8 -25.64 59.99 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 5.2 mm -60.55 -56.88 14.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 O-C-N 125.007 1.063 . . . . 1.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 t -66.23 -40.64 90.42 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.998 1.436 . . . . 1.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 11.8 tt0 -64.17 -38.27 90.47 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.985 1.428 . . . . 1.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.541 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -60.1 -56.62 19.41 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.996 1.435 . . . . 1.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.486 HG13 ' CE2' ' A' ' 32' ' ' PHE . 4.5 mt -66.06 -13.83 16.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.992 1.433 . . . . 1.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 t -82.69 -41.73 18.97 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.966 1.417 . . . . 1.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.541 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -82.27 -26.56 33.05 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.633 ' CG ' ' CE1' ' A' ' 37' ' ' PHE . 14.4 tpt180 -82.33 -43.06 17.93 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.997 1.435 . . . . 1.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CE1' ' CG ' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -129.59 86.1 56.67 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.034 1.459 . . . . 1.0 109.298 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.16 0.42 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.472 2.781 . . . . 1.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -64.02 -30.31 71.4 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.982 1.426 . . . . 1.0 109.282 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.482 ' CZ ' HG23 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -70.05 -51.17 34.17 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.997 1.436 . . . . 1.0 109.331 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -20.76 66.2 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.299 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -83.13 -26.38 31.02 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.021 1.451 . . . . 1.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -108.23 10.26 27.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.98 1.425 . . . . 1.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.576 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 65.7 t80 174.78 76.53 0.06 OUTLIER Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.016 1.448 . . . . 1.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 6.6 3.33 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.49 2.793 . . . . 1.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . . . -85.8 25.42 1.1 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.01 1.444 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.653 ' CH2' ' CZ ' ' A' ' 6' ' ' TYR . 72.7 m95 -69.25 -57.03 5.88 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.951 1.407 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -46.88 -27.62 1.31 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.023 1.452 . . . . 1.0 109.304 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -82.27 -51.77 7.6 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.954 1.409 . . . . 1.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.433 ' CB ' ' OH ' ' A' ' 8' ' ' TYR . 22.0 p -64.56 -51.0 65.07 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.021 1.451 . . . . 1.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.565 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 2.8 pt -62.13 -35.8 70.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.979 1.424 . . . . 1.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 48' ' ' GLN . 9.4 mtt180 -51.08 -42.83 60.86 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.962 1.414 . . . . 1.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 57' ' ' LEU . 2.1 m-70 -81.55 -57.68 3.36 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.027 1.454 . . . . 1.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -51.85 -46.3 64.34 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.017 1.448 . . . . 1.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.63 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 22.4 tp -54.21 -52.2 62.02 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.028 1.455 . . . . 1.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 p -70.28 -34.82 73.23 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.991 1.432 . . . . 1.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' HIS . 1.2 mp -86.62 17.18 4.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.968 1.418 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.5 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 4.8 t-20 -100.13 -87.02 0.38 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.06 1.475 . . . . 1.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 41.8 m-20 -82.53 -34.57 27.83 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.052 1.47 . . . . 1.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 89.89 40.72 0.01 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.63 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -69.52 -175.8 0.89 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.983 1.427 . . . . 1.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 17.3 m -115.77 114.62 46.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.039 1.462 . . . . 1.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -104.38 147.0 28.03 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.008 1.442 . . . . 1.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.577 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -97.38 108.19 43.29 Favored Pre-proline 0 C--O 1.241 0.619 0 O-C-N 125.028 1.455 . . . . 1.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 12.81 1.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.557 2.838 . . . . 1.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 0.5 OUTLIER 177.88 84.01 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.044 1.465 . . . . 1.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' A' ' 74' ' ' GLY . 7.8 pt-20 -67.66 111.25 7.01 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 125.009 1.443 . . . . 1.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.98 54.47 3.64 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.513 2.808 . . . . 1.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.02 -53.7 0.02 OUTLIER Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 23.3 m120 -83.59 159.31 61.4 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 125.062 1.095 . . . . 1.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.97 -18.06 19.12 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.549 2.832 . . . . 1.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.93 71.13 0.33 Allowed Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -119.65 -55.22 2.12 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.049 1.088 . . . . 1.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.487 ' O ' ' OE1' ' A' ' 67' ' ' GLU . . . -142.2 167.2 26.15 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.721 ' O ' HG22 ' A' ' 25' ' ' THR . 82.1 m-20 -120.09 -175.37 2.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.999 1.058 . . . . 1.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.487 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -146.85 90.11 1.88 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.963 1.414 . . . . 1.0 109.297 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.587 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 4.1 m0 -77.43 137.25 38.58 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.035 1.46 . . . . 1.0 109.27 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 18.7 m -114.02 134.53 54.8 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.493 ' CD1' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -72.31 135.64 46.01 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.995 1.434 . . . . 1.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 1.2 p30 -135.08 88.48 26.41 Favored Pre-proline 0 C--O 1.24 0.587 0 O-C-N 124.997 1.436 . . . . 1.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 31.15 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.482 2.788 . . . . 1.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' H ' ' C ' ' A' ' 80' ' ' ASP . 2.5 pp0? -106.85 -25.3 11.74 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.436 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.458 ' C ' ' N ' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -79.94 -73.78 0.33 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.95 1.406 . . . . 1.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 8.8 pt-20 43.62 22.0 0.03 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.034 1.458 . . . . 1.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.458 ' N ' ' C ' ' A' ' 83' ' ' SER . 1.8 t0 -85.07 -22.41 28.98 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.981 1.425 . . . . 1.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 60.3 tpp -42.87 -34.43 0.95 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.972 1.42 . . . . 1.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 88' ' ' ASP . 21.1 p90 -108.94 -44.98 3.87 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.014 1.446 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -53.02 -35.32 59.31 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.98 1.425 . . . . 1.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -51.93 -40.44 60.8 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.02 -63.88 2.99 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 12.2 p -176.15 -55.25 0.01 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.989 1.053 . . . . 1.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 91' ' ' SER . 92.6 m-85 -163.97 -58.14 0.04 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.023 1.452 . . . . 1.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.345 0.393 0 O-C-N 125.037 1.461 . . . . 1.0 109.319 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 mmt . . . . . 0 C--O 1.24 0.583 0 CA-C-O 118.438 -0.791 . . . . 1.0 109.283 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.582 HG11 ' CG ' ' A' ' 39' ' ' TYR . 10.5 p -165.46 -49.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.937 1.398 . . . . 1.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 179.63 121.53 0.22 Allowed Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.942 1.401 . . . . 1.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.99 4.75 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.496 2.797 . . . . 1.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.99 137.17 21.39 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.525 2.817 . . . . 1.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.45 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 1.1 p90 -138.39 -63.86 0.54 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.973 1.42 . . . . 1.0 109.342 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m -141.0 131.41 25.2 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.019 1.45 . . . . 1.0 109.301 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -24.26 55.32 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.026 1.454 . . . . 1.0 109.288 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 mm -51.12 -40.0 21.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 125.011 1.444 . . . . 1.0 109.292 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.99 85.61 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.954 1.409 . . . . 1.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' HG ' ' CE2' ' A' ' 37' ' ' PHE . 7.0 mp -66.87 -39.45 87.52 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.014 1.446 . . . . 1.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.446 HD12 ' CD1' ' A' ' 55' ' ' LEU . 41.3 mm -55.46 -45.99 78.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.975 1.422 . . . . 1.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -45.37 -40.21 7.7 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.936 1.397 . . . . 1.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 36' ' ' ARG . 42.8 ttp -80.81 -35.02 33.56 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.998 1.436 . . . . 1.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.566 ' HA ' ' CE1' ' A' ' 32' ' ' PHE . . . -60.1 -54.03 50.79 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.015 1.447 . . . . 1.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -64.29 -41.23 91.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.415 . . . . 1.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.85 -37.96 64.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.955 1.41 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -52.01 -20.33 2.35 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.024 1.453 . . . . 1.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.47 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 66.3 m -114.4 81.81 7.04 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.004 1.44 . . . . 1.0 109.304 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.5 Cg_endo -75.05 3.01 6.02 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.505 2.804 . . . . 1.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -110.26 -77.98 0.59 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.004 1.44 . . . . 1.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 5.6 mtmm 163.55 44.32 0.0 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.002 1.439 . . . . 1.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 95.7 3.13 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.032 1.457 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 3.7 mt -119.52 114.82 22.85 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.949 1.405 . . . . 1.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.857 HG22 ' O ' ' A' ' 75' ' ' ASN . 19.7 p -102.87 115.18 30.1 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.022 1.451 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' CD2' ' CZ ' ' A' ' 52' ' ' ARG . 1.3 tp -43.96 -35.16 1.93 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.967 1.417 . . . . 1.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -70.32 -41.23 73.54 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.959 1.412 . . . . 1.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.09 -20.32 70.35 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 109.304 -1.518 . . . . 1.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.2 mp -78.98 -45.77 24.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.97 1.041 . . . . 1.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -60.63 -44.11 96.73 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.009 1.443 . . . . 1.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.37 -23.87 64.72 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.007 1.442 . . . . 1.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -74.08 -45.36 49.79 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.968 1.417 . . . . 1.0 109.345 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -50.19 71.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.972 1.42 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 84.8 p -56.62 -23.46 41.15 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.982 1.426 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -75.45 -51.96 11.82 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.003 1.439 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HG3' ' CE ' ' A' ' 14' ' ' MET . 12.9 mmt180 -75.77 -51.04 13.52 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.952 1.408 . . . . 1.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CE2' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -115.54 80.9 8.4 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.06 -33.73 4.3 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.535 2.823 . . . . 1.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CG ' HG11 ' A' ' 2' ' ' VAL . 2.5 m-85 -75.73 -25.48 56.63 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.623 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -62.21 -51.78 66.4 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 1.0 109.29 -179.349 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 34' ' ' SER . 0.3 OUTLIER -73.63 -29.12 62.16 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.997 1.436 . . . . 1.0 109.304 -179.53 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.74 -13.74 58.72 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.036 1.46 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -121.2 11.2 10.81 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.006 1.441 . . . . 1.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.792 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.9 t80 179.77 65.1 0.13 Allowed Pre-proline 0 C--O 1.24 0.601 0 O-C-N 124.98 1.425 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -75.0 -14.91 20.99 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.531 2.821 . . . . 1.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.49 -10.68 59.8 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.958 1.411 . . . . 1.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.792 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -89.03 12.34 15.81 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.982 1.426 . . . . 1.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.84 -49.27 73.45 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.973 1.421 . . . . 1.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -82.28 -36.79 26.7 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.417 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 20.0 p -57.26 -54.57 45.34 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.965 1.416 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 tt -54.71 -30.14 22.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.005 1.44 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.549 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 1.1 mtm180 -70.58 -39.99 73.54 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.972 1.42 . . . . 1.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 1.9 m170 -61.82 -59.69 4.77 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.0 1.438 . . . . 1.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -61.8 -26.11 67.9 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.943 1.402 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.446 ' CD1' HD12 ' A' ' 12' ' ' ILE . 1.1 tp -62.63 -49.26 75.88 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.98 1.425 . . . . 1.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.5 t -83.54 -17.56 41.42 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.437 . . . . 1.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 mp -83.74 -21.85 32.13 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.028 1.455 . . . . 1.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -87.31 -79.3 0.28 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.973 1.421 . . . . 1.0 109.316 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.737 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 3.8 m-20 -56.98 -51.27 69.87 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.991 1.432 . . . . 1.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 81.36 46.13 0.03 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.967 1.417 . . . . 1.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.737 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -88.25 -178.48 5.93 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.059 1.474 . . . . 1.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 78' ' ' THR . 75.2 t -117.4 127.36 74.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 1.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.609 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -102.69 165.09 11.26 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.017 1.448 . . . . 1.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 67' ' ' GLU . 1.1 pt -114.49 83.58 8.84 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 124.949 1.406 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.0 16.62 0.64 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.517 2.811 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 175.76 88.02 0.01 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.984 1.428 . . . . 1.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -137.4 172.99 5.94 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 124.946 1.404 . . . . 1.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.451 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.05 80.55 2.42 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.48 2.787 . . . . 1.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.24 42.45 0.25 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.264 -1.534 . . . . 1.0 109.264 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.562 ' CB ' ' HD3' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -84.86 -53.83 0.47 Allowed Pre-proline 0 C--O 1.239 0.544 0 O-C-N 125.021 1.071 . . . . 1.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.95 53.79 3.42 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.511 2.808 . . . . 1.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -128.29 -52.9 0.12 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.3 -1.52 . . . . 1.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -136.41 -80.27 0.4 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.016 1.068 . . . . 1.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.98 -111.4 0.89 Allowed Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.32 -1.512 . . . . 1.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.857 ' O ' HG22 ' A' ' 25' ' ' THR . 6.4 m-80 -146.56 -160.61 1.18 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.046 1.086 . . . . 1.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 38.2 m-85 -145.84 86.27 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.952 1.407 . . . . 1.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.609 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 5.8 m0 -81.64 125.92 31.14 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.272 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 40.8 p -120.31 143.45 48.36 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.971 1.42 . . . . 1.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.499 ' HB3' ' CB ' ' A' ' 82' ' ' GLN . 0.1 OUTLIER -71.08 135.44 47.71 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.957 1.411 . . . . 1.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.598 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -73.65 -47.69 6.98 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 125.018 1.449 . . . . 1.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.5 Cg_endo -74.97 -23.36 13.95 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.542 2.828 . . . . 1.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.499 ' CB ' ' HB3' ' A' ' 79' ' ' LEU . 11.2 tt0 -85.78 -47.7 9.48 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.993 1.433 . . . . 1.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 84' ' ' GLU . 28.2 p -63.98 -63.38 1.17 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.986 1.429 . . . . 1.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER 78.3 -7.14 1.85 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.025 1.453 . . . . 1.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -81.61 -51.82 7.83 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.909 1.38 . . . . 1.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.436 ' HG3' ' N ' ' A' ' 87' ' ' PHE . 1.6 ptm -51.25 -23.15 3.21 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.002 1.439 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.436 ' N ' ' HG3' ' A' ' 86' ' ' MET . 64.0 t80 -56.0 -43.94 78.18 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.007 1.442 . . . . 1.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -139.6 -52.1 0.53 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.007 1.442 . . . . 1.0 109.354 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' ASP . 16.6 m-80 -47.39 -29.7 2.78 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.443 . . . . 1.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 91' ' ' SER . . . -80.22 -71.43 1.27 Allowed Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.309 -1.516 . . . . 1.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 90' ' ' GLY . 11.5 t 162.91 78.67 0.0 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.004 1.061 . . . . 1.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.81 -57.03 0.16 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.035 1.46 . . . . 1.0 109.269 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--N 1.344 0.359 0 O-C-N 125.0 1.438 . . . . 1.0 109.314 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.347 -0.835 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.563 ' CG2' ' CZ ' ' A' ' 39' ' ' TYR . 4.6 m -140.31 21.38 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.045 1.466 . . . . 1.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.59 166.9 3.93 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.009 1.443 . . . . 1.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.99 148.39 35.24 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.493 2.795 . . . . 1.0 111.03 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HB3' ' OH ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.0 69.34 5.58 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.472 2.781 . . . . 1.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -140.53 -25.1 0.77 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.045 1.466 . . . . 1.0 109.329 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.455 ' C ' HD13 ' A' ' 11' ' ' LEU . 1.5 t -66.25 -74.1 0.12 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.952 1.408 . . . . 1.0 109.258 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.793 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 52.7 p90 -51.44 -23.43 3.88 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.532 HD11 ' CE2' ' A' ' 8' ' ' TYR . 35.7 mm -67.61 -33.44 62.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.969 1.418 . . . . 1.0 109.357 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.91 3.25 16.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.017 1.448 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.793 ' HB2' ' HA ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -81.76 -42.74 19.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 1.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 1.1 mp -41.91 -33.66 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.991 1.432 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 m -53.17 -36.48 60.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.076 1.485 . . . . 1.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 mtm -81.19 -43.66 18.97 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -57.42 -28.21 63.07 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.974 1.421 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.534 HD11 ' CE2' ' A' ' 61' ' ' PHE . 35.3 mm -85.47 -50.97 14.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.973 1.421 . . . . 1.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -63.13 -41.84 99.4 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.973 1.421 . . . . 1.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -47.85 -24.85 1.1 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -67.82 114.93 22.97 Favored Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.971 1.42 . . . . 1.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.51 8.82 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.517 2.811 . . . . 1.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -140.2 -84.53 0.23 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.013 1.446 . . . . 1.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 176.23 35.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.993 1.433 . . . . 1.0 109.37 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 24.5 mttp -144.88 113.39 6.65 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.972 1.42 . . . . 1.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -115.63 130.06 56.72 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.039 1.462 . . . . 1.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.783 HG22 ' O ' ' A' ' 75' ' ' ASN . 40.0 p -90.95 112.99 25.11 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.033 1.458 . . . . 1.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -44.58 -25.9 0.31 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.98 1.425 . . . . 1.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.0 m -64.9 -47.39 77.98 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.005 1.441 . . . . 1.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.43 -19.0 69.84 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.501 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 24.7 mm -75.55 -52.92 17.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.001 1.06 . . . . 1.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.4 p -57.59 -34.79 69.61 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.977 1.423 . . . . 1.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -81.81 -30.56 32.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.972 1.42 . . . . 1.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -62.68 -43.55 98.53 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.456 . . . . 1.0 109.278 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.491 HG23 ' CD2' ' A' ' 37' ' ' PHE . 3.1 mt -71.95 -47.71 54.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.27 -26.34 0.78 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.049 1.468 . . . . 1.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.52 -38.52 91.3 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.943 1.402 . . . . 1.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ILE . 5.6 mmp_? -82.67 -40.86 20.13 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.044 1.465 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.513 ' CZ ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -123.91 81.22 56.32 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.034 1.459 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -37.76 1.94 Allowed 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.488 2.792 . . . . 1.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CZ ' ' CG2' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -79.46 -2.55 42.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.959 1.412 . . . . 1.0 109.324 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.744 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 1.1 t80 -85.73 -47.33 9.87 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.974 1.421 . . . . 1.0 109.261 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -74.32 -50.58 18.19 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.972 1.42 . . . . 1.0 109.352 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' CG ' ' HA ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -60.65 -14.47 20.84 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.994 1.434 . . . . 1.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -123.5 16.16 9.63 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.994 1.434 . . . . 1.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.754 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.6 t80 178.77 64.34 0.11 Allowed Pre-proline 0 C--O 1.24 0.605 0 O-C-N 124.988 1.43 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -75.01 -10.41 21.18 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.463 2.775 . . . . 1.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.55 -21.12 61.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.96 1.412 . . . . 1.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.754 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -81.96 0.89 37.96 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.029 1.456 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -56.32 -40.68 74.78 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.964 1.415 . . . . 1.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -82.67 -31.66 28.53 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.002 1.439 . . . . 1.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.8 p -58.93 -53.24 60.62 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.493 ' CD1' ' CB ' ' A' ' 8' ' ' TYR . 1.8 tt -57.59 -27.95 30.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.947 1.404 . . . . 1.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -75.9 -35.01 59.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.967 1.417 . . . . 1.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -63.97 -57.3 10.14 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.948 1.405 . . . . 1.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -53.56 -26.11 19.99 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.499 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 8.0 tp -72.49 -47.46 48.46 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.994 1.434 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.531 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.2 t -83.11 -13.52 55.49 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.982 1.426 . . . . 1.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.6 mm? -88.04 -19.04 27.66 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.06 1.475 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -88.91 -79.92 0.3 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.021 1.451 . . . . 1.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.638 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -63.6 -48.77 76.01 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.012 1.445 . . . . 1.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 80.59 26.93 0.26 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.034 1.459 . . . . 1.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.663 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -64.78 -168.04 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.968 1.417 . . . . 1.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.12 144.15 18.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -132.31 158.37 42.05 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 1.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.576 ' CD1' ' CE2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -118.39 78.89 14.79 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 125.03 1.456 . . . . 1.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 18.0 Cg_endo -75.06 22.82 0.41 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.484 2.789 . . . . 1.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 64' ' ' ILE . 0.6 OUTLIER 175.53 72.98 0.01 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.012 1.445 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HB3' ' ND2' ' A' ' 70' ' ' ASN . 2.4 tp10 -87.99 126.18 61.96 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.995 1.434 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 51.86 2.9 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.526 2.817 . . . . 1.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.425 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 144.37 68.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.464 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 3.0 m-20 -132.8 63.81 68.76 Favored Pre-proline 0 C--O 1.239 0.535 0 O-C-N 125.013 1.067 . . . . 1.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.99 55.49 3.96 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.528 2.819 . . . . 1.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.27 -90.83 1.31 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.346 -1.502 . . . . 1.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -143.51 -51.29 0.33 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.998 1.058 . . . . 1.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.03 -108.75 0.64 Allowed Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.783 ' O ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -141.59 -150.12 0.3 Allowed 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.95 1.029 . . . . 1.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.576 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -153.55 133.07 12.9 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.021 1.45 . . . . 1.0 109.318 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 6.9 m0 -111.65 133.79 53.66 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.036 1.46 . . . . 1.0 109.3 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 75.0 p -104.53 -144.44 0.37 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.037 1.461 . . . . 1.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.663 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -141.96 124.5 15.81 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.015 1.447 . . . . 1.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.533 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -77.98 -51.51 1.7 Allowed Pre-proline 0 C--O 1.239 0.548 0 O-C-N 124.968 1.418 . . . . 1.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.4 Cg_endo -74.98 115.64 4.35 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.548 2.832 . . . . 1.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' HG2' ' CB ' ' A' ' 85' ' ' ASP . 0.9 OUTLIER 79.37 39.0 0.11 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.017 1.448 . . . . 1.0 109.302 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -80.89 -49.42 11.05 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.047 1.467 . . . . 1.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -106.17 33.72 3.69 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.249 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.445 ' CB ' ' HG2' ' A' ' 82' ' ' GLN . 20.1 p-10 -74.31 -47.12 36.63 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.968 1.418 . . . . 1.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.4 ttm -81.15 -68.22 0.71 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.5 p90 174.07 -47.81 0.01 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.954 1.409 . . . . 1.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -150.82 24.98 0.75 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.923 1.389 . . . . 1.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -77.63 -35.68 52.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.006 1.442 . . . . 1.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' SER . . . -78.33 -70.36 1.32 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 90' ' ' GLY . 5.7 p 156.32 80.37 0.0 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.065 1.097 . . . . 1.0 109.254 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -159.04 62.4 0.41 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.041 1.463 . . . . 1.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.536 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.389 0 O-C-N 124.979 1.424 . . . . 1.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HA ' ' CD1' ' A' ' 6' ' ' TYR . 7.8 ttp . . . . . 0 C--O 1.239 0.535 0 CA-C-O 118.427 -0.797 . . . . 1.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.536 HG21 ' CE1' ' A' ' 39' ' ' TYR . 14.7 p -105.69 -47.84 9.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.006 1.441 . . . . 1.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.683 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -141.78 -64.42 0.02 OUTLIER Pre-proline 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 1.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.683 ' HD3' ' HB3' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.02 172.35 16.53 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.496 2.797 . . . . 1.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.52 14.36 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.457 2.771 . . . . 1.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER -79.63 110.79 15.3 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.019 1.45 . . . . 1.0 109.304 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 4.9 m -140.21 127.99 21.84 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.989 1.431 . . . . 1.0 109.234 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' LEU . 37.6 m-85 -81.85 -71.0 0.5 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.281 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.458 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -43.59 -29.28 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 125.029 1.456 . . . . 1.0 109.29 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 7' ' ' SER . . . -69.63 -48.86 58.49 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.977 1.423 . . . . 1.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.544 ' HG ' HD12 ' A' ' 12' ' ' ILE . 1.9 pp -78.74 -25.13 44.5 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.544 HD12 ' HG ' ' A' ' 11' ' ' LEU . 1.2 mp -80.28 -41.71 20.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.3 m -51.43 -39.26 57.0 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.046 1.466 . . . . 1.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.4 ptt? -75.35 -31.2 60.47 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.077 1.486 . . . . 1.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.613 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -63.88 -52.47 59.83 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.036 1.46 . . . . 1.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.4 -45.26 93.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 125.019 1.449 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.02 -31.58 70.07 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.038 1.461 . . . . 1.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.579 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -49.63 -22.0 1.19 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.947 1.405 . . . . 1.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -110.65 92.94 15.27 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.967 1.417 . . . . 1.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.02 10.3 1.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.514 2.809 . . . . 1.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -117.06 -79.32 0.59 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.968 1.417 . . . . 1.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HB3' HG23 ' A' ' 78' ' ' THR . 8.7 mttt 163.96 39.54 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 1.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.99 111.12 7.84 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.442 . . . . 1.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 16' ' ' ILE . 3.6 mt -121.67 117.08 25.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.968 1.418 . . . . 1.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 75' ' ' ASN . 15.3 p -101.07 116.81 33.71 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.998 1.436 . . . . 1.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.681 HD11 ' CG ' ' A' ' 52' ' ' ARG . 4.4 tt -47.59 -38.56 14.71 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.964 1.415 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -61.98 -44.69 96.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.922 1.389 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -73.71 -39.72 47.67 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.37 -51.31 65.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 125.031 1.077 . . . . 1.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 t -56.35 -51.7 67.29 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.039 1.462 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -65.66 -26.79 67.95 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.007 1.442 . . . . 1.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -69.27 -39.51 78.35 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.518 HD13 ' CE2' ' A' ' 32' ' ' PHE . 39.0 mm -65.28 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.45 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.9 p -48.02 -22.64 0.63 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.033 1.458 . . . . 1.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -59.29 -37.87 78.76 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.007 1.442 . . . . 1.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD2' ' SD ' ' A' ' 14' ' ' MET . 0.6 OUTLIER -136.46 17.69 3.14 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.024 1.453 . . . . 1.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.707 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 2.2 m-85 -141.08 51.0 2.15 Favored Pre-proline 0 C--O 1.24 0.557 0 O-C-N 124.949 1.406 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.707 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -75.04 -47.54 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.524 2.816 . . . . 1.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.536 ' CE1' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -62.66 -18.65 62.73 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.004 1.44 . . . . 1.0 109.314 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 6' ' ' TYR . 1.0 OUTLIER -82.4 -51.59 7.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.004 1.44 . . . . 1.0 109.296 -179.336 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -62.02 -48.11 81.75 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 1.0 109.313 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' A' ' 39' ' ' TYR . 10.1 pt-20 -65.88 -18.84 65.61 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.978 1.424 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -93.45 -34.04 13.57 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.996 1.435 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.822 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -149.34 73.53 9.93 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 124.97 1.419 . . . . 1.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -13.11 21.49 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.491 2.794 . . . . 1.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.87 -16.86 42.86 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.03 1.456 . . . . 1.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.822 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -79.85 11.87 3.02 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.981 1.425 . . . . 1.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.29 -50.38 73.11 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.011 1.444 . . . . 1.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 15.8 t-20 -74.64 -36.69 62.89 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.002 1.439 . . . . 1.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -48.06 -42.67 29.19 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.06 1.475 . . . . 1.0 109.324 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 3.1 mt -72.79 -30.16 32.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 125.012 1.445 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.681 ' CG ' HD11 ' A' ' 26' ' ' LEU . 6.7 mtp180 -56.66 -47.06 80.62 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.021 1.451 . . . . 1.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.541 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -57.6 -57.46 12.62 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.996 1.435 . . . . 1.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -32.8 71.58 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.977 1.423 . . . . 1.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.561 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -55.27 -54.56 41.97 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.942 1.401 . . . . 1.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.6 t -77.94 -31.63 51.09 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.02 1.45 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 6.0 mp -82.62 19.74 1.24 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.981 1.425 . . . . 1.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -103.63 -87.11 0.43 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.945 1.403 . . . . 1.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.638 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 9.4 m-20 -85.43 -36.62 20.52 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.985 1.428 . . . . 1.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 22.1 m 90.51 55.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.021 1.451 . . . . 1.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.11 -167.64 0.42 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.037 1.461 . . . . 1.0 109.326 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.9 m -127.94 118.54 48.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.024 1.452 . . . . 1.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.545 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 8.8 ttpp -90.13 146.3 24.4 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.023 1.452 . . . . 1.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 1.1 pt -115.86 79.29 7.83 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.964 1.415 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.43 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -74.97 18.0 0.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.525 2.817 . . . . 1.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 175.56 84.45 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.947 1.405 . . . . 1.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.68 146.4 35.92 Favored Pre-proline 0 C--O 1.24 0.598 0 O-C-N 124.988 1.43 . . . . 1.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 47.82 1.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.552 2.835 . . . . 1.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.46 49.17 0.09 OUTLIER Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.285 -1.526 . . . . 1.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -139.98 130.49 14.08 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.978 1.046 . . . . 1.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.95 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.503 2.802 . . . . 1.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.07 68.12 0.48 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -140.3 -57.84 0.54 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.041 1.083 . . . . 1.0 109.343 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -135.99 -141.02 4.26 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.562 ' O ' HG22 ' A' ' 25' ' ' THR . 15.2 m-80 -158.17 -173.26 4.25 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.99 1.053 . . . . 1.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.418 ' CD2' HD11 ' A' ' 64' ' ' ILE . 6.1 m-85 -133.79 95.99 3.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.962 1.414 . . . . 1.0 109.245 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.554 ' CZ2' HD12 ' A' ' 26' ' ' LEU . 7.3 m0 -83.02 129.52 35.04 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.042 1.464 . . . . 1.0 109.306 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 22' ' ' LYS . 27.2 m -124.86 143.41 50.85 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.986 1.429 . . . . 1.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.64 121.55 17.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.005 1.44 . . . . 1.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.604 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 1.3 t0 -78.51 -47.86 1.88 Allowed Pre-proline 0 C--O 1.24 0.573 0 O-C-N 125.031 1.457 . . . . 1.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.3 Cg_endo -74.97 113.8 3.88 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.51 2.807 . . . . 1.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 81' ' ' PRO . 5.8 mm-40 75.29 42.63 0.23 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.041 1.463 . . . . 1.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.7 p -78.18 -50.56 11.71 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 1.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.21 -39.36 82.42 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.016 1.447 . . . . 1.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -48.01 80.17 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.993 1.433 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -36.83 24.53 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 87' ' ' PHE . 31.1 t80 -101.91 30.05 4.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.023 1.452 . . . . 1.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 t70 179.34 53.71 0.0 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.984 1.427 . . . . 1.0 109.259 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.05 -48.78 12.74 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.968 1.417 . . . . 1.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.01 -57.39 3.04 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.4 p 57.31 48.65 14.56 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.007 1.063 . . . . 1.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -134.79 -57.89 0.82 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.006 1.441 . . . . 1.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.345 0.405 0 O-C-N 125.025 1.453 . . . . 1.0 109.321 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.508 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.596 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.297 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.594 HG21 ' CG ' ' A' ' 39' ' ' TYR . 0.9 OUTLIER 49.49 16.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.974 1.421 . . . . 1.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -34.61 94.8 0.08 OUTLIER Pre-proline 0 C--O 1.24 0.562 0 O-C-N 125.029 1.455 . . . . 1.0 109.252 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.544 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 18.1 Cg_endo -75.08 118.91 5.41 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.497 2.798 . . . . 1.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 101.97 1.53 Allowed 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.529 2.819 . . . . 1.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.52 ' CE2' HD12 ' A' ' 11' ' ' LEU . 2.7 p90 -138.45 -176.39 4.45 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.0 1.437 . . . . 1.0 109.348 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.23 137.23 53.79 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.997 1.436 . . . . 1.0 109.311 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -63.8 -61.73 2.11 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.73 ' O ' HG23 ' A' ' 13' ' ' THR . 41.6 pt -55.53 -44.42 76.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.007 1.442 . . . . 1.0 109.293 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -55.58 -27.89 51.89 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' A' ' 37' ' ' PHE . 7.1 tt -82.4 -53.03 6.33 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.423 . . . . 1.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.9 mm -48.5 -47.36 14.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.991 1.432 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 9' ' ' ILE . 26.8 p -42.95 -36.0 1.4 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.001 1.438 . . . . 1.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -35.9 28.26 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.974 1.421 . . . . 1.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -64.0 -44.39 92.8 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.955 1.409 . . . . 1.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.502 HD11 ' CD1' ' A' ' 79' ' ' LEU . 5.9 tp -59.1 -45.85 92.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.455 . . . . 1.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -34.2 10.96 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.011 1.444 . . . . 1.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 20.4 mm100 -47.24 -32.99 5.01 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.028 1.455 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.432 ' OG ' ' HG ' ' A' ' 24' ' ' LEU . 93.9 p -114.25 86.99 12.66 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.0 1.437 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.97 19.46 0.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.486 2.791 . . . . 1.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 mm-40 -128.46 -87.52 0.55 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.96 1.413 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -178.71 41.27 0.0 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.009 1.443 . . . . 1.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -140.32 103.1 4.5 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.99 1.432 . . . . 1.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' CD2' HD11 ' A' ' 29' ' ' ILE . 6.6 mt -106.14 132.82 51.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.009 1.443 . . . . 1.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 75' ' ' ASN . 69.9 p -120.47 93.94 4.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.946 1.404 . . . . 1.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 55' ' ' LEU . 2.5 tm? -42.84 -34.58 0.97 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.033 1.458 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.2 p -58.99 -46.75 87.38 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 1.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -73.63 -39.75 48.22 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.288 -1.525 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.495 HD11 ' CD2' ' A' ' 24' ' ' LEU . 1.8 mp -56.02 -44.66 79.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 125.002 1.06 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.403 ' SG ' ' OE1' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -58.62 -43.98 89.82 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.01 1.443 . . . . 1.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.12 -31.49 72.38 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.964 1.415 . . . . 1.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.513 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -70.49 -49.88 43.77 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.957 1.411 . . . . 1.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.513 HG13 ' CE2' ' A' ' 32' ' ' PHE . 1.9 mt -64.08 -53.49 43.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.993 1.433 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.4 m -44.37 -33.03 1.5 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.952 1.408 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -79.41 -37.77 36.38 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.993 1.433 . . . . 1.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 4.3 mpt_? -74.7 -43.77 53.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.994 1.434 . . . . 1.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CE1' HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -128.77 83.33 66.52 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.56 5.27 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.563 2.842 . . . . 1.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.594 ' CG ' HG21 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -75.38 -28.35 59.46 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.989 1.431 . . . . 1.0 109.274 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.606 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -61.61 -54.61 40.6 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.0 1.438 . . . . 1.0 109.284 -179.304 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -32.93 72.05 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.97 1.419 . . . . 1.0 109.298 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.47 -5.59 58.79 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.062 1.476 . . . . 1.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 1' ' ' MET . 12.8 ttpp -109.04 -47.71 3.39 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.979 1.424 . . . . 1.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.774 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -135.71 74.58 58.39 Favored Pre-proline 0 C--O 1.24 0.596 0 O-C-N 125.016 1.447 . . . . 1.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -10.92 21.26 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.492 2.794 . . . . 1.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.47 -9.99 59.59 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.97 1.419 . . . . 1.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.774 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -87.03 18.46 3.57 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.028 1.455 . . . . 1.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.5 tp60 -61.45 -48.63 80.28 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.987 1.429 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 9.5 t-20 -83.72 -27.77 28.73 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.944 1.403 . . . . 1.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -54.74 -47.98 73.15 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.013 1.446 . . . . 1.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 48' ' ' GLN . 7.8 tt -65.1 -34.16 68.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.959 1.412 . . . . 1.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.57 -48.16 81.85 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.977 1.423 . . . . 1.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.455 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.1 t60 -52.91 -48.71 67.03 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.998 1.437 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 58' ' ' ASN . 22.7 m120 -72.55 -29.7 63.8 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.043 1.464 . . . . 1.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.597 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -54.72 -52.67 61.74 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.019 1.45 . . . . 1.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -76.57 -31.6 57.64 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.013 1.445 . . . . 1.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 53' ' ' HIS . 4.5 mm? -84.86 12.23 7.81 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.971 1.419 . . . . 1.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.464 ' ND2' ' CG2' ' A' ' 12' ' ' ILE . 13.2 t30 -97.27 -77.88 0.49 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.952 1.408 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.752 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.2 m-20 -75.79 -60.6 2.24 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.993 1.433 . . . . 1.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.685 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 21.7 p 128.55 44.25 0.0 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.997 1.435 . . . . 1.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.752 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -104.63 179.83 4.16 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -121.77 164.15 19.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.98 1.425 . . . . 1.0 109.268 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.08 163.88 19.67 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.982 1.426 . . . . 1.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pp -114.07 85.45 10.15 Favored Pre-proline 0 C--O 1.239 0.533 0 O-C-N 124.982 1.426 . . . . 1.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.01 44.68 1.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.515 2.81 . . . . 1.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER 175.31 86.1 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.93 110.52 4.26 Favored Pre-proline 0 C--O 1.24 0.583 0 O-C-N 124.999 1.437 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.98 14.94 0.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.517 2.811 . . . . 1.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.16 79.19 0.03 OUTLIER Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.329 -1.508 . . . . 1.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.41 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 18.2 m-20 -123.52 162.93 37.53 Favored Pre-proline 0 C--O 1.24 0.584 0 O-C-N 124.978 1.046 . . . . 1.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 70' ' ' ASN . 18.2 Cg_endo -75.01 -25.18 12.09 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.53 2.82 . . . . 1.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.41 60.84 0.6 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.48 -76.47 0.58 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.995 1.056 . . . . 1.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.3 -127.92 2.07 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.611 ' O ' HG22 ' A' ' 25' ' ' THR . 7.5 m120 -137.38 -175.45 4.07 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.026 1.074 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 23' ' ' LYS . 8.3 m-85 -134.91 101.92 5.06 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.982 1.426 . . . . 1.0 109.318 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.533 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 8.3 m0 -93.21 141.95 27.85 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.009 1.443 . . . . 1.0 109.27 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 41.5 p -121.62 145.99 47.44 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.038 1.461 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.528 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -85.6 146.08 27.04 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.983 1.427 . . . . 1.0 109.268 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.659 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -72.24 -44.68 10.62 Favored Pre-proline 0 C--O 1.24 0.557 0 O-C-N 124.965 1.416 . . . . 1.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.3 Cg_endo -75.03 5.06 4.22 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.454 2.769 . . . . 1.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.99 -42.88 3.31 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.008 1.443 . . . . 1.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' A' ' 86' ' ' MET . 34.7 t -64.53 -56.4 14.32 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.966 1.416 . . . . 1.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' OE1' ' OD1' ' A' ' 80' ' ' ASP . 7.7 pt-20 -57.79 -31.96 67.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.976 1.423 . . . . 1.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.504 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 5.9 m-20 -59.71 -52.7 64.38 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.997 1.436 . . . . 1.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.438 ' HG3' ' O ' ' A' ' 83' ' ' SER . 0.1 OUTLIER -69.39 -4.32 17.91 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.975 1.422 . . . . 1.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.53 -35.71 27.03 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.991 1.432 . . . . 1.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -94.92 -67.74 0.84 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.058 1.474 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 85' ' ' ASP . 3.1 p30 -69.06 -45.64 69.85 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.016 1.448 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.92 -16.33 51.87 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 t -93.22 -56.61 2.89 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.007 1.063 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.18 -63.18 1.28 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.973 1.421 . . . . 1.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.396 0 O-C-N 124.959 1.412 . . . . 1.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.622 0 CA-C-O 118.387 -0.816 . . . . 1.0 109.302 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.535 HG13 ' CE2' ' A' ' 40' ' ' TYR . 10.7 t 72.09 48.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.992 1.432 . . . . 1.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.58 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.8 OUTLIER -89.44 -61.22 0.23 Allowed Pre-proline 0 C--O 1.24 0.557 0 O-C-N 124.961 1.413 . . . . 1.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -74.99 175.61 11.0 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.532 2.821 . . . . 1.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -74.98 -165.28 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.493 2.796 . . . . 1.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.88 147.04 41.88 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.041 1.463 . . . . 1.0 109.309 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.4 96.69 4.5 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.016 1.447 . . . . 1.0 109.337 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.495 ' CE1' HG22 ' A' ' 51' ' ' ILE . 47.1 m-85 -64.64 -42.93 95.11 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.993 1.433 . . . . 1.0 109.265 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 13' ' ' THR . 39.3 pt -49.23 -38.63 11.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.986 1.429 . . . . 1.0 109.294 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.96 -26.7 39.91 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -50.16 12.29 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.03 1.456 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.7 mp -53.94 -54.45 20.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.966 1.416 . . . . 1.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 9' ' ' ILE . 8.2 p -44.44 -35.04 2.25 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.038 1.461 . . . . 1.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.419 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.4 tmm? -82.4 -30.07 30.44 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.019 1.45 . . . . 1.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -76.51 -33.34 58.63 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.033 1.458 . . . . 1.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.451 HD11 ' CE2' ' A' ' 61' ' ' PHE . 48.4 mm -64.24 -45.56 95.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.006 1.441 . . . . 1.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -59.88 -29.49 68.35 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 1.0 109.27 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 28.3 mm-40 -42.35 -34.43 0.8 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.025 1.453 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 23' ' ' LYS . 14.7 m -109.77 101.17 45.77 Favored Pre-proline 0 C--O 1.24 0.59 0 O-C-N 125.009 1.443 . . . . 1.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 12.52 1.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.485 2.79 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.7 mt-30 -118.89 -85.83 0.65 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.974 1.421 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.563 ' O ' HG22 ' A' ' 78' ' ' THR . 3.9 ttpp 174.64 41.1 0.0 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.984 1.427 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' A' ' 19' ' ' SER . 4.8 mtmm -140.94 106.82 5.14 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.98 1.425 . . . . 1.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 2.2 mt -115.97 121.09 41.24 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.039 1.462 . . . . 1.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 75' ' ' ASN . 25.8 p -102.05 105.91 16.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.998 1.436 . . . . 1.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 3.8 tt -42.86 -35.52 1.21 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.016 1.447 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.9 p -58.58 -48.78 79.78 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.443 . . . . 1.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -16.21 80.89 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.476 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 6.1 mm -79.31 -54.1 12.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 125.014 1.067 . . . . 1.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.5 p -55.59 -41.36 73.28 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.023 1.452 . . . . 1.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -74.0 -27.48 60.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.016 1.448 . . . . 1.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -66.12 -38.94 89.4 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.962 1.413 . . . . 1.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' A' ' 37' ' ' PHE . 2.8 mt -70.19 -57.03 9.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.474 ' HB2' ' CD ' ' A' ' 41' ' ' ARG . 92.2 p -44.39 -29.49 0.69 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.982 1.426 . . . . 1.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 76.1 m-20 -61.14 -44.29 97.56 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.007 1.442 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.591 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 31.5 mmt-85 -78.68 -40.8 32.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.039 1.462 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -130.26 81.21 68.97 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 125.017 1.448 . . . . 1.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -25.79 11.48 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.492 2.795 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.51 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 33.3 p90 -81.74 -15.42 54.39 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.991 1.432 . . . . 1.0 109.33 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' CE2' HG13 ' A' ' 2' ' ' VAL . 1.4 t80 -80.81 -50.95 9.18 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.474 ' CD ' ' HB2' ' A' ' 34' ' ' SER . 0.0 OUTLIER -57.26 -35.27 69.54 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.985 1.428 . . . . 1.0 109.332 -179.573 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.492 ' CG ' ' HA ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -84.1 -6.79 59.46 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 4.6 mmtp -114.78 11.04 16.67 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.959 1.412 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.826 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.9 t80 179.43 68.16 0.13 Allowed Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.998 1.436 . . . . 1.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.36 20.36 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.492 2.795 . . . . 1.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.59 -15.4 63.52 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.826 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -84.24 4.88 28.83 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.986 1.429 . . . . 1.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.433 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -56.38 -47.97 77.83 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.987 1.43 . . . . 1.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -82.28 -25.31 34.15 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.954 1.409 . . . . 1.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.526 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 8.3 t -56.6 -50.87 70.7 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.495 HG22 ' CE1' ' A' ' 8' ' ' TYR . 29.1 pt -57.74 -40.84 77.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.93 1.394 . . . . 1.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.44 ' N ' HG13 ' A' ' 51' ' ' ILE . 12.0 ttm180 -60.02 -47.66 84.92 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.036 1.46 . . . . 1.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -53.91 -52.14 61.5 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 1.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 3.1 t-20 -69.7 -26.36 64.32 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.971 1.419 . . . . 1.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.598 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -55.02 -53.67 52.89 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 1.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 t -79.05 -24.95 43.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.017 1.448 . . . . 1.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -83.59 21.39 1.23 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.013 1.445 . . . . 1.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 2.8 m-80 -112.26 -85.54 0.57 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.058 1.474 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.672 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -84.64 -22.66 29.82 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.006 1.442 . . . . 1.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 1.4 m 74.87 41.76 0.3 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.963 1.414 . . . . 1.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.672 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -77.43 -176.99 4.45 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.068 1.48 . . . . 1.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -108.96 127.03 65.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.949 1.406 . . . . 1.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -113.99 150.5 33.76 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.003 1.439 . . . . 1.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 67' ' ' GLU . 1.8 pp -99.68 106.03 37.68 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 124.974 1.421 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.493 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -4.69 15.77 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.494 2.796 . . . . 1.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 17.3 ttt180 170.6 85.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.967 1.417 . . . . 1.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.509 ' HB2' HD13 ' A' ' 64' ' ' ILE . 2.9 tp10 -83.32 134.82 44.93 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.001 1.438 . . . . 1.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -75.01 56.63 4.32 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.49 2.793 . . . . 1.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.576 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 129.5 74.94 0.16 Allowed Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.319 -1.512 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.65 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 7.8 t30 -128.15 58.34 33.23 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 124.953 1.031 . . . . 1.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.5 Cg_endo -74.98 59.85 5.28 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.564 2.843 . . . . 1.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.1 -92.93 2.27 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HG3' HG21 ' A' ' 25' ' ' THR . 0.1 OUTLIER -143.92 -48.42 0.28 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.039 1.082 . . . . 1.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.492 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -139.49 -109.93 0.87 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.833 ' O ' HG22 ' A' ' 25' ' ' THR . 1.3 m120 -115.64 -161.57 0.79 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.991 1.053 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.619 ' CE2' ' OD1' ' A' ' 70' ' ' ASN . 25.9 m-85 -142.45 103.69 4.29 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.974 1.421 . . . . 1.0 109.28 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.57 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 8.3 m95 -105.76 115.26 29.93 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.043 1.464 . . . . 1.0 109.265 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 22' ' ' LYS . 72.7 p -117.52 142.55 47.03 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.011 1.444 . . . . 1.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.563 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 2.5 mp -70.93 124.83 25.26 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.024 1.452 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.559 ' CB ' ' HD3' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -84.51 -53.59 0.5 Allowed Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.959 1.412 . . . . 1.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.559 ' HD3' ' CB ' ' A' ' 80' ' ' ASP . 18.4 Cg_endo -74.91 108.74 2.78 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.537 2.825 . . . . 1.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 76.42 46.34 0.09 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.027 1.454 . . . . 1.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -76.96 -43.82 33.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 83' ' ' SER . 6.6 tt0 92.89 -21.79 0.08 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.948 1.405 . . . . 1.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 89' ' ' ASN . 8.1 t70 -80.09 -53.82 6.34 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.992 1.433 . . . . 1.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 tpp -49.44 -33.62 14.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.039 1.462 . . . . 1.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -54.47 -41.39 69.46 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.83 53.53 1.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.039 1.462 . . . . 1.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.6 p30 -59.4 -46.42 88.73 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.041 1.463 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.45 ' HA3' ' CD2' ' A' ' 93' ' ' LEU . . . -80.06 -56.04 3.37 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.286 -1.526 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 t 74.47 58.31 0.08 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.024 1.073 . . . . 1.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 93' ' ' LEU . 23.5 t80 72.68 65.85 0.12 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.994 1.434 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.45 ' CD2' ' HA3' ' A' ' 90' ' ' GLY . 4.5 mm? . . . . . 0 C--N 1.345 0.403 0 O-C-N 125.007 1.442 . . . . 1.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 C--O 1.24 0.579 0 CA-C-O 118.371 -0.823 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.541 HG21 ' CE2' ' A' ' 39' ' ' TYR . 21.6 m -103.56 -28.66 2.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.991 1.432 . . . . 1.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.679 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 3.7 ttmt 177.69 -55.94 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.548 0 O-C-N 124.994 1.434 . . . . 1.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.07 158.95 41.66 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.516 2.811 . . . . 1.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 58.8 4.98 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.494 2.796 . . . . 1.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -85.05 162.26 19.4 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.974 1.421 . . . . 1.0 109.322 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.01 163.98 27.2 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.984 1.428 . . . . 1.0 109.299 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -80.59 -58.82 2.93 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 1.0 109.273 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -45.26 -38.83 2.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.004 1.44 . . . . 1.0 109.32 -179.528 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -66.45 -37.66 85.63 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.977 1.423 . . . . 1.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 1.8 mm? -73.86 -47.18 40.08 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.433 . . . . 1.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.8 mp -60.69 -40.97 86.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.983 1.427 . . . . 1.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -42.13 -44.61 3.72 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.945 1.403 . . . . 1.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.1 ttp -82.03 -30.21 31.57 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.514 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -60.39 -38.97 85.63 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.984 1.428 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -78.68 -45.16 25.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.994 1.434 . . . . 1.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.44 -30.56 5.22 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.96 1.413 . . . . 1.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -45.94 -29.07 1.28 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.05 1.469 . . . . 1.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.435 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 89.3 p -114.56 87.62 14.54 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.71 8.58 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.502 2.802 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -87.56 0.49 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.422 . . . . 1.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.82 39.28 0.0 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.037 1.46 . . . . 1.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 8.3 tttt -139.91 111.91 7.52 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.956 1.41 . . . . 1.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -122.66 137.68 54.83 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.976 HG22 ' O ' ' A' ' 75' ' ' ASN . 81.3 p -123.66 105.47 9.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 2.9 tm? -47.53 -39.74 17.03 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.014 1.446 . . . . 1.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.7 p -62.14 -40.92 97.58 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 1.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.43 -20.92 65.57 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.257 -1.537 . . . . 1.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.4 mm -77.28 -51.8 17.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 124.954 1.032 . . . . 1.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.7 p -57.8 -36.97 72.94 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.012 1.445 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.05 -34.0 70.82 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.01 1.444 . . . . 1.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.62 -51.91 65.45 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.004 1.44 . . . . 1.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.538 HG13 ' CE2' ' A' ' 32' ' ' PHE . 2.4 mt -60.37 -29.64 44.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.964 1.415 . . . . 1.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 p -71.24 -35.44 71.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.004 1.44 . . . . 1.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.28 -40.9 25.98 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.928 1.393 . . . . 1.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.544 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 3.6 tpt180 -75.88 -52.07 11.13 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.976 1.423 . . . . 1.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -119.03 80.19 18.43 Favored Pre-proline 0 C--O 1.24 0.591 0 O-C-N 125.021 1.451 . . . . 1.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.0 -34.46 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.526 2.817 . . . . 1.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.541 ' CE2' HG21 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -76.8 -16.47 59.44 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.051 1.469 . . . . 1.0 109.317 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.673 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -75.88 -51.63 12.08 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.023 1.452 . . . . 1.0 109.292 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -77.29 -35.79 54.76 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.942 1.401 . . . . 1.0 109.297 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 1.7 tt0 -58.7 -21.0 53.57 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 1.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -106.76 -29.21 9.69 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.004 1.44 . . . . 1.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.725 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -134.53 70.0 72.4 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.99 1.432 . . . . 1.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.25 20.69 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.514 2.809 . . . . 1.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.86 -24.94 33.02 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 1.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -74.06 -7.73 53.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.001 1.438 . . . . 1.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.43 ' O ' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.2 -34.56 32.34 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.009 1.443 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -83.88 -35.16 24.33 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.024 1.452 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -52.54 65.3 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.963 1.414 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -48.22 -39.19 8.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.985 1.428 . . . . 1.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -66.67 -39.93 88.38 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.952 1.407 . . . . 1.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -62.56 -54.82 33.99 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.055 1.472 . . . . 1.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.492 ' C ' HD21 ' A' ' 54' ' ' ASN . 0.1 OUTLIER -63.4 -31.95 73.24 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.99 1.431 . . . . 1.0 109.33 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.579 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 45.8 tp -56.56 -54.08 50.1 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.991 1.432 . . . . 1.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.543 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.3 t -74.5 -26.02 59.74 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.995 1.435 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.53 13.87 6.32 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.964 1.415 . . . . 1.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.457 ' OD1' ' OD2' ' A' ' 59' ' ' ASP . 15.5 t-20 -101.16 -84.18 0.44 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.975 1.422 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.604 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 16.3 m-20 -80.25 -20.84 43.59 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.001 1.438 . . . . 1.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 1.5 m 73.41 35.46 0.89 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.944 1.403 . . . . 1.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.685 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -72.76 -173.79 1.28 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -108.44 155.24 9.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.002 1.439 . . . . 1.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.571 ' CB ' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.8 160.37 31.08 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.984 1.427 . . . . 1.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.573 ' CD1' ' CD2' ' A' ' 76' ' ' TYR . 18.5 mt -97.18 107.86 40.7 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.969 1.418 . . . . 1.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.02 -21.74 15.5 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.48 2.787 . . . . 1.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 174.53 77.2 0.0 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.029 1.456 . . . . 1.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 68' ' ' PRO . 5.3 tp10 -68.13 138.58 92.26 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.956 1.41 . . . . 1.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' N ' ' HG3' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -74.94 72.0 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.558 2.839 . . . . 1.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.13 -42.88 0.1 OUTLIER Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.271 -1.532 . . . . 1.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -72.12 123.49 89.55 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.981 1.048 . . . . 1.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.67 17.59 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.504 2.803 . . . . 1.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.65 75.22 0.08 OUTLIER Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.265 -1.534 . . . . 1.0 109.265 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -132.64 -70.39 0.55 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.006 1.062 . . . . 1.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.55 -155.73 6.54 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.976 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER -138.72 -175.21 4.06 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.041 . . . . 1.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.573 ' CD2' ' CD1' ' A' ' 64' ' ' ILE . 5.5 m-85 -132.76 83.73 2.09 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.964 1.415 . . . . 1.0 109.312 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.571 ' CE2' ' CB ' ' A' ' 63' ' ' LYS . 9.2 m0 -80.72 135.44 36.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.99 1.431 . . . . 1.0 109.298 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.555 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 45.6 p -107.56 -150.34 0.45 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.994 1.433 . . . . 1.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.685 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -144.12 108.19 4.75 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.943 1.402 . . . . 1.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 1.4 p30 -121.76 114.39 31.25 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 124.984 1.427 . . . . 1.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.48 15.8 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.555 2.837 . . . . 1.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 83' ' ' SER . 17.5 pt20 -53.8 -45.57 70.81 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.966 1.416 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 60' ' ' CYS . 37.8 m -59.75 -50.87 72.13 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.941 1.401 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -56.15 -42.49 77.06 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.039 1.462 . . . . 1.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.74 25.13 0.95 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.026 1.454 . . . . 1.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.504 ' HG3' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -39.99 -35.85 0.41 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.962 1.414 . . . . 1.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CE1' ' HG3' ' A' ' 86' ' ' MET . 0.7 OUTLIER 174.52 68.71 0.0 OUTLIER 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.96 1.413 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER 79.96 -0.96 2.08 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.935 1.397 . . . . 1.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' HB2' ' CG ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -81.05 -5.05 57.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . -80.13 -69.25 1.41 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.64 74.09 0.0 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.987 1.051 . . . . 1.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -58.68 3.14 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.968 1.417 . . . . 1.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.345 0.376 0 O-C-N 124.965 1.415 . . . . 1.0 109.227 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mmm . . . . . 0 C--O 1.24 0.576 0 CA-C-O 118.381 -0.819 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.437 HG11 ' CB ' ' A' ' 39' ' ' TYR . 12.8 p -175.38 -42.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.044 1.465 . . . . 1.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.478 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -34.52 -56.76 0.78 Allowed Pre-proline 0 C--O 1.24 0.566 0 O-C-N 124.986 1.429 . . . . 1.0 109.319 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -74.97 114.1 3.95 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.552 2.835 . . . . 1.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.11 2.41 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.45 2.766 . . . . 1.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CD1' HD21 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -118.03 -171.02 1.99 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.017 1.448 . . . . 1.0 109.304 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 1.5 m -110.08 170.54 8.01 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.982 1.426 . . . . 1.0 109.3 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.521 ' CE2' ' CZ3' ' A' ' 47' ' ' TRP . 88.1 m-85 -58.36 -40.47 82.3 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.983 1.427 . . . . 1.0 109.298 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -54.12 -35.27 28.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.968 1.417 . . . . 1.0 109.279 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 6' ' ' TYR . . . -68.49 -36.65 79.23 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.986 1.429 . . . . 1.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.536 HD12 ' CE2' ' A' ' 37' ' ' PHE . 3.3 mm? -71.35 -44.24 65.43 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.033 1.458 . . . . 1.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' ALA . 40.5 mm -62.29 -51.49 71.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 124.993 1.433 . . . . 1.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -40.17 -42.18 1.42 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.951 1.407 . . . . 1.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 36' ' ' ARG . 7.8 ttp -80.01 -36.49 35.84 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.974 1.422 . . . . 1.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . . . -64.06 -59.14 4.83 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.035 1.459 . . . . 1.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.508 HD12 ' CD2' ' A' ' 24' ' ' LEU . 8.6 tp -53.84 -38.49 36.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.553 0 O-C-N 124.989 1.431 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.96 -39.75 93.21 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.035 1.459 . . . . 1.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -49.66 -25.18 2.66 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 1.0 109.251 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.449 ' OG ' HD13 ' A' ' 24' ' ' LEU . 30.2 m -115.21 83.4 10.09 Favored Pre-proline 0 C--O 1.24 0.592 0 O-C-N 124.961 1.413 . . . . 1.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.02 12.63 1.18 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.528 2.819 . . . . 1.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -109.34 -79.34 0.58 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.989 1.431 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 3.0 pttt 163.49 48.61 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.024 1.453 . . . . 1.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -143.3 107.88 4.84 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.001 1.438 . . . . 1.0 109.286 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' CD2' HD12 ' A' ' 16' ' ' ILE . 2.7 mm? -126.18 101.88 6.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.984 1.427 . . . . 1.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.954 HG22 ' O ' ' A' ' 75' ' ' ASN . 29.0 p -85.46 108.13 17.74 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.003 1.439 . . . . 1.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.504 HD12 ' CH2' ' A' ' 77' ' ' TRP . 7.4 tt -42.1 -33.12 0.54 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.02 1.45 . . . . 1.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 m -64.68 -44.45 90.3 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 1.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.26 -20.65 74.85 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.301 -1.519 . . . . 1.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 4.9 mm -63.18 -51.97 64.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.989 1.052 . . . . 1.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.7 t -64.88 -47.73 76.8 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.997 1.436 . . . . 1.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 2.2 pt-20 -65.21 -29.97 70.82 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.041 1.463 . . . . 1.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 15' ' ' ALA . 2.1 t80 -62.21 -50.03 73.39 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.982 1.427 . . . . 1.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 51' ' ' ILE . 1.3 mt -63.51 -16.69 18.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.989 1.43 . . . . 1.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -41.13 18.24 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.967 1.417 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.548 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -85.68 16.69 3.77 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.015 1.447 . . . . 1.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' CE ' ' A' ' 14' ' ' MET . 11.9 mmt-85 -141.35 -47.49 0.39 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.014 1.446 . . . . 1.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.536 ' CE2' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -129.64 74.09 81.03 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 124.97 1.419 . . . . 1.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -34.79 3.66 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.523 2.815 . . . . 1.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CB ' HG11 ' A' ' 2' ' ' VAL . 15.3 m-85 -55.1 -29.41 57.58 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.941 1.401 . . . . 1.0 109.272 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.468 ' CE2' ' CE1' ' A' ' 6' ' ' TYR . 4.5 m-85 -79.45 -52.2 8.36 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.022 1.451 . . . . 1.0 109.341 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -53.86 -46.55 71.32 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.038 1.461 . . . . 1.0 109.309 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -29.59 69.86 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -43.79 13.37 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.44 . . . . 1.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.3 t80 -146.0 88.79 6.25 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.973 1.421 . . . . 1.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 11.56 1.4 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.492 2.795 . . . . 1.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -85.87 26.95 0.92 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.968 1.417 . . . . 1.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 96.8 m95 -68.19 -56.23 9.48 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.946 1.404 . . . . 1.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 3.4 tm0? -40.75 -28.16 0.07 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.963 1.415 . . . . 1.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -80.43 -49.36 11.54 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.991 1.432 . . . . 1.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.467 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 27.9 m -82.07 -64.48 1.17 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.966 1.416 . . . . 1.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.566 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.5 tp -39.78 -38.7 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.986 1.429 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 29.8 ttt-85 -60.05 -50.12 74.96 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.066 1.479 . . . . 1.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.455 ' C ' HD23 ' A' ' 57' ' ' LEU . 10.1 m-70 -70.66 -54.83 10.4 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.011 1.444 . . . . 1.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.496 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 21.4 m120 -53.81 -44.89 70.58 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.969 1.418 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.698 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 10.6 tp -54.09 -52.65 60.3 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.969 1.418 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.4 p -68.65 -40.32 80.27 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.031 1.457 . . . . 1.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -88.39 25.47 1.66 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.031 1.457 . . . . 1.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.51 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 9.4 t-20 -106.45 -85.22 0.5 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.437 . . . . 1.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.573 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 75.5 m-20 -82.06 -26.75 33.42 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.991 1.432 . . . . 1.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 63.4 m 80.81 40.47 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.02 1.45 . . . . 1.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -77.26 -173.87 3.01 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.058 1.474 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 70.9 t -106.85 140.94 23.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.972 1.42 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.641 ' CB ' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -115.71 138.06 51.48 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.995 1.434 . . . . 1.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -76.01 123.36 88.11 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.953 1.408 . . . . 1.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 45.37 1.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.466 2.778 . . . . 1.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 58.21 70.78 0.62 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.985 1.428 . . . . 1.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -74.15 141.64 77.97 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 125.016 1.448 . . . . 1.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -74.97 54.27 3.58 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.47 2.78 . . . . 1.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.9 46.6 0.06 OUTLIER Glycine 0 C--N 1.346 1.085 0 N-CA-C 109.248 -1.541 . . . . 1.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.615 ' OD1' ' CZ ' ' A' ' 76' ' ' TYR . 19.3 t30 -138.31 58.56 15.12 Favored Pre-proline 0 C--O 1.24 0.564 0 O-C-N 124.992 1.054 . . . . 1.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.98 65.23 6.05 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.539 2.826 . . . . 1.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.53 -91.16 1.72 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.25 -50.15 0.33 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.009 1.064 . . . . 1.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.485 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -140.29 -110.21 0.85 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.954 ' O ' HG22 ' A' ' 25' ' ' THR . 58.8 m-80 -123.98 -172.0 2.44 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.027 1.075 . . . . 1.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CZ ' ' OD1' ' A' ' 70' ' ' ASN . 20.5 m-85 -127.77 75.4 1.6 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.956 1.41 . . . . 1.0 109.285 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.641 ' CE2' ' CB ' ' A' ' 63' ' ' LYS . 11.3 m0 -74.45 130.56 39.86 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.99 1.432 . . . . 1.0 109.302 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.577 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -140.47 150.32 43.64 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 1.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.503 ' CD1' HG12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -62.56 135.89 57.62 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.019 1.449 . . . . 1.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -75.24 154.44 86.24 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 125.001 1.438 . . . . 1.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 52.7 3.14 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.491 2.794 . . . . 1.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 64.75 42.5 4.57 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.015 1.447 . . . . 1.0 109.345 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.59 -40.38 42.39 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.954 1.409 . . . . 1.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.99 34.43 3.71 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.022 1.451 . . . . 1.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.24 -40.0 38.59 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.0 1.437 . . . . 1.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -31.22 52.87 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.051 1.469 . . . . 1.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -96.03 27.09 3.78 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.965 1.415 . . . . 1.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 164.2 65.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -77.1 -55.63 5.28 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.28 -65.81 2.1 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p -167.89 -57.54 0.02 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.021 1.071 . . . . 1.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -109.27 -58.38 2.04 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.953 1.408 . . . . 1.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.445 0 O-C-N 124.983 1.427 . . . . 1.0 109.267 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' HG12 ' A' ' 2' ' ' VAL . 11.3 ptm . . . . . 0 C--O 1.24 0.556 0 CA-C-O 118.431 -0.795 . . . . 1.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.532 HG22 ' CD1' ' A' ' 39' ' ' TYR . 10.7 p 42.64 42.18 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.975 1.422 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.626 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 0.6 OUTLIER -135.56 55.53 13.02 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.952 1.408 . . . . 1.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.626 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -75.05 176.5 9.85 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.514 2.809 . . . . 1.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.5 Cg_endo -74.92 117.88 5.08 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.512 2.808 . . . . 1.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.737 ' CE2' ' CD2' ' A' ' 40' ' ' TYR . 50.9 m-85 -100.4 156.0 17.5 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.996 1.435 . . . . 1.0 109.335 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.503 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 1.9 p -141.79 139.3 32.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.958 1.411 . . . . 1.0 109.231 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ3' ' A' ' 47' ' ' TRP . 20.0 m-85 -85.45 -79.29 0.24 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.994 1.434 . . . . 1.0 109.288 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.511 HG12 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -39.7 -45.83 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.954 1.409 . . . . 1.0 109.302 -179.561 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -58.51 -46.2 87.22 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.99 1.431 . . . . 1.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 8' ' ' TYR . 11.7 mt -60.09 -40.65 90.34 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.048 1.468 . . . . 1.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.493 HD12 ' CD1' ' A' ' 55' ' ' LEU . 40.3 mm -72.15 -44.25 65.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 125.027 1.455 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -52.28 -42.5 63.77 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.945 1.403 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.481 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 4.9 ptm -81.9 -17.86 45.72 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.961 1.413 . . . . 1.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -81.66 -48.73 11.34 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 16' ' ' ILE . 4.8 mm -56.29 -54.51 26.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.944 1.403 . . . . 1.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 1.1 pp -56.58 -30.67 63.45 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.971 1.42 . . . . 1.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -55.54 -22.57 22.17 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.001 1.438 . . . . 1.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.8 p -117.72 82.72 16.73 Favored Pre-proline 0 C--O 1.239 0.546 0 O-C-N 124.984 1.427 . . . . 1.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 10.01 1.87 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.524 2.816 . . . . 1.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -96.47 -85.35 0.34 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.032 1.458 . . . . 1.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 0.7 OUTLIER 163.3 44.68 0.0 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.941 1.401 . . . . 1.0 109.352 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.69 111.58 6.4 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.436 . . . . 1.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 2.6 mm? -111.49 87.93 2.67 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.002 1.439 . . . . 1.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.985 HG23 ' O ' ' A' ' 75' ' ' ASN . 3.0 m -89.79 103.32 15.98 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.984 1.428 . . . . 1.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -43.06 -34.37 1.02 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.981 1.426 . . . . 1.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -53.47 -46.7 70.03 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.012 1.445 . . . . 1.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 32' ' ' PHE . . . -77.92 -17.74 78.05 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 40.8 mm -76.81 -52.24 17.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.975 1.044 . . . . 1.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.0 p -56.92 -45.19 82.85 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.004 1.44 . . . . 1.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.7 -23.8 59.85 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.991 1.432 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 8.6 t80 -72.64 -44.9 61.3 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.968 1.418 . . . . 1.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 HD13 ' CD2' ' A' ' 32' ' ' PHE . 35.3 mm -62.9 -48.69 86.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.001 1.438 . . . . 1.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -72.61 -18.87 61.55 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 125.015 1.447 . . . . 1.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.18 -39.33 82.18 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.032 1.458 . . . . 1.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -90.92 -39.34 12.33 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.994 1.433 . . . . 1.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CD2' ' CE2' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -123.13 84.88 51.31 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.992 1.432 . . . . 1.0 109.358 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -28.07 9.58 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.51 2.807 . . . . 1.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CD1' HG22 ' A' ' 2' ' ' VAL . 1.7 t80 -71.71 -31.83 67.14 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.933 1.396 . . . . 1.0 109.262 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.737 ' CD2' ' CE2' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -65.91 -42.48 90.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.055 1.472 . . . . 1.0 109.326 -179.345 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -64.45 -33.04 74.95 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.986 1.429 . . . . 1.0 109.257 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -33.05 74.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.961 1.413 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -84.04 -32.87 24.63 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 1.2 t80 -150.91 90.72 4.12 Favored Pre-proline 0 C--O 1.239 0.509 0 O-C-N 124.959 1.412 . . . . 1.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 8.63 2.34 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.488 2.792 . . . . 1.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.602 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . . . -83.62 19.7 1.57 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.996 1.435 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.486 ' CZ3' ' CZ ' ' A' ' 8' ' ' TYR . 58.1 m95 -75.88 -3.58 36.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.966 1.416 . . . . 1.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 10.4 tt0 -86.14 -46.89 10.0 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.026 1.454 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.439 ' HA ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -87.84 -40.09 14.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.002 1.439 . . . . 1.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.6 m -56.58 -67.51 0.3 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.964 1.415 . . . . 1.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -58.93 -24.34 26.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.957 1.411 . . . . 1.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HB2' ' HA ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -56.34 -43.18 78.8 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.969 1.418 . . . . 1.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.516 ' CE1' HD22 ' A' ' 57' ' ' LEU . 9.0 t60 -72.47 -51.15 21.41 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.037 1.461 . . . . 1.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.597 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 4.9 m120 -69.33 -7.1 34.15 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.961 1.413 . . . . 1.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.536 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 5.5 tp -85.58 -46.32 10.92 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.982 1.426 . . . . 1.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.602 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 40.1 t -79.82 -46.65 16.53 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.027 1.455 . . . . 1.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.597 ' CD2' ' HA ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -57.91 -23.17 52.19 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.421 . . . . 1.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 28.2 t-20 -76.3 -67.21 0.71 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.02 1.45 . . . . 1.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.8 OUTLIER -81.34 -57.27 3.56 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.977 1.423 . . . . 1.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 99.87 25.07 0.0 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.435 . . . . 1.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -68.14 178.15 1.98 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.98 1.425 . . . . 1.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.689 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 4.9 m -100.82 137.96 26.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.95 1.407 . . . . 1.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.616 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -118.04 125.24 49.96 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.051 1.469 . . . . 1.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 64' ' ' ILE . 21.9 pt -77.76 117.29 64.81 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.998 1.436 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 62.11 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.561 2.841 . . . . 1.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 0.6 OUTLIER 64.75 75.43 0.37 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.005 1.441 . . . . 1.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.17 146.81 78.98 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.957 1.411 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.83 3.76 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.561 2.841 . . . . 1.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.551 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 169.0 55.6 0.03 OUTLIER Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.329 -1.508 . . . . 1.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.705 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -131.75 51.58 7.66 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 124.984 1.05 . . . . 1.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.705 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.2 Cg_endo -75.04 62.79 5.96 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.49 2.793 . . . . 1.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.58 -88.02 0.76 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.279 -1.528 . . . . 1.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.42 -53.01 0.45 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.974 1.044 . . . . 1.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.09 -120.36 1.66 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.985 ' O ' HG23 ' A' ' 25' ' ' THR . 39.7 m-80 -116.86 -171.07 1.95 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.055 1.091 . . . . 1.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 10.8 m-85 -145.0 118.48 9.07 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.015 1.447 . . . . 1.0 109.254 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.689 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.8 m0 -104.16 134.82 46.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.977 1.423 . . . . 1.0 109.279 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.61 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 6.3 p -124.42 146.6 48.8 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.983 1.427 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.411 ' CD2' ' OD1' ' A' ' 59' ' ' ASP . 6.7 mp -65.23 139.98 58.69 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.958 1.411 . . . . 1.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.513 ' OD1' ' CG1' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -83.97 154.25 64.06 Favored Pre-proline 0 C--O 1.24 0.573 0 O-C-N 124.978 1.424 . . . . 1.0 109.326 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.13 3.54 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.527 2.818 . . . . 1.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 64.75 43.58 4.08 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.973 1.421 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.462 ' CB ' ' OD2' ' A' ' 80' ' ' ASP . 28.9 t -80.21 -39.69 28.64 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.968 1.418 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.528 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 9.2 mm-40 -111.12 34.91 3.78 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.013 1.446 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -79.93 -50.16 10.85 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.02 1.45 . . . . 1.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.4 ' O ' ' HB2' ' A' ' 87' ' ' PHE . 3.3 mpp? -61.51 -54.28 45.33 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.965 1.416 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.528 ' CE2' ' O ' ' A' ' 84' ' ' GLU . 3.9 m-85 65.09 67.68 0.52 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.995 1.435 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.35 69.1 0.38 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.021 1.451 . . . . 1.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -81.59 -44.95 16.55 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.006 1.441 . . . . 1.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.04 -63.64 3.71 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.4 p -64.44 -60.98 2.51 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.014 1.067 . . . . 1.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 60.7 t80 60.3 54.22 4.04 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.966 1.416 . . . . 1.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.345 0.397 0 O-C-N 124.966 1.416 . . . . 1.0 109.294 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.582 0 CA-C-O 118.403 -0.808 . . . . 1.0 109.308 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.518 HG22 ' CD1' ' A' ' 39' ' ' TYR . 27.3 m -146.07 36.75 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.983 1.427 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -64.69 -51.96 54.7 Favored Pre-proline 0 C--O 1.241 0.607 0 O-C-N 125.01 1.443 . . . . 1.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.06 123.0 7.52 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.482 2.788 . . . . 1.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.62 34.35 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.497 2.798 . . . . 1.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.75 ' CZ ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -128.48 -167.85 1.83 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.032 1.458 . . . . 1.0 109.31 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.11 -173.17 2.35 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.978 1.424 . . . . 1.0 109.34 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.421 ' OH ' ' O ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -83.16 -74.78 0.35 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.022 1.452 . . . . 1.0 109.297 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.46 HD11 ' CB ' ' A' ' 58' ' ' ASN . 1.5 tp -59.94 -30.18 44.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.989 1.43 . . . . 1.0 109.295 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.22 -33.62 58.73 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.002 1.439 . . . . 1.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -80.84 -31.44 35.48 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.933 1.396 . . . . 1.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -62.43 -56.51 17.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 124.965 1.416 . . . . 1.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.9 p -43.22 -37.11 2.0 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.7 mtm -65.09 -41.81 94.65 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.04 1.462 . . . . 1.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.626 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -55.75 -30.35 61.08 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.424 . . . . 1.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.495 HD11 ' CE2' ' A' ' 61' ' ' PHE . 30.8 mm -80.2 -43.17 22.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.959 1.412 . . . . 1.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.94 -42.82 72.77 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.979 1.424 . . . . 1.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -50.94 -23.51 2.93 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.917 1.385 . . . . 1.0 109.233 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 m -113.56 89.33 15.17 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.973 1.421 . . . . 1.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 2.04 7.09 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.526 2.817 . . . . 1.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 47.0 tt0 -110.21 -80.14 0.58 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.0 1.438 . . . . 1.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 166.36 48.44 0.0 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.977 1.423 . . . . 1.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -134.55 93.91 3.12 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.012 1.445 . . . . 1.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 3.8 mm? -110.24 117.77 34.56 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.046 1.466 . . . . 1.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 75' ' ' ASN . 33.8 p -104.5 107.37 18.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.966 1.416 . . . . 1.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD12 ' CH2' ' A' ' 77' ' ' TRP . 10.4 tt -45.26 -36.58 4.08 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.018 1.449 . . . . 1.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 p -62.59 -45.34 93.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.051 1.469 . . . . 1.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.91 -35.26 54.56 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.326 -1.51 . . . . 1.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.79 -48.05 81.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 125.01 1.065 . . . . 1.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 t -55.98 -53.08 61.26 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.976 1.422 . . . . 1.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -65.61 -33.14 75.2 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.984 1.428 . . . . 1.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.626 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 2.0 t80 -61.05 -41.83 97.33 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.968 1.417 . . . . 1.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.625 HD13 ' CD2' ' A' ' 32' ' ' PHE . 5.8 mm -69.01 -39.04 79.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.431 . . . . 1.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -74.94 -21.3 59.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.959 1.412 . . . . 1.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.84 -47.35 75.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.049 1.468 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -80.88 -37.88 29.02 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.067 1.479 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.75 ' CD1' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -118.85 86.2 30.12 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.95 1.406 . . . . 1.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.37 1.24 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.489 2.793 . . . . 1.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.518 ' CD1' HG22 ' A' ' 2' ' ' VAL . 8.9 m-85 -70.18 -27.73 64.75 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.017 1.448 . . . . 1.0 109.334 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CD1' ' HZ2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -64.73 -48.82 73.2 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.98 1.425 . . . . 1.0 109.319 -179.38 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -64.93 -46.04 83.32 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 -179.581 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -58.12 -24.1 57.47 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.965 1.416 . . . . 1.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -96.73 -32.36 12.2 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.032 1.458 . . . . 1.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.658 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.5 t80 -152.04 85.58 4.66 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 124.996 1.435 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HB3' ' HG3' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.01 11.39 1.45 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.516 2.811 . . . . 1.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -84.97 27.28 0.78 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.958 1.411 . . . . 1.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 96.2 m95 -81.51 24.64 0.56 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.001 1.438 . . . . 1.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.49 -78.78 0.18 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.011 1.444 . . . . 1.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' ARG . 27.3 t-20 -82.94 -32.49 27.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.006 1.441 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 5.7 p -41.9 -26.6 0.09 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.984 1.427 . . . . 1.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -107.07 -27.24 3.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.02 1.45 . . . . 1.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' N ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -59.76 -23.97 63.68 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.995 1.435 . . . . 1.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.522 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -73.07 -56.8 4.62 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.978 1.424 . . . . 1.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.45 -28.11 60.89 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.426 . . . . 1.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.613 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 32.2 tp -58.28 -59.8 4.77 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.004 1.44 . . . . 1.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -69.86 -27.67 65.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.997 1.435 . . . . 1.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.522 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 1.2 tt -90.75 17.7 7.35 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 2.0 t-20 -103.37 -89.8 0.38 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.029 1.455 . . . . 1.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.569 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 24.8 m-20 -83.18 -3.9 57.84 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.008 1.442 . . . . 1.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.577 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 13.5 p 52.0 65.78 1.4 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -95.09 178.39 5.56 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.972 1.42 . . . . 1.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -101.0 112.08 32.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.998 1.436 . . . . 1.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.677 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -85.13 146.76 26.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.983 1.427 . . . . 1.0 109.276 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 1.1 pp -115.67 82.79 10.56 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.972 1.42 . . . . 1.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 5.42 4.0 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.511 2.807 . . . . 1.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.21 91.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.993 1.433 . . . . 1.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.449 ' HB2' HD13 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -125.72 174.05 4.39 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 124.95 1.406 . . . . 1.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -74.99 50.61 2.57 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.522 2.815 . . . . 1.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.82 35.45 0.02 OUTLIER Glycine 0 C--N 1.346 1.091 0 N-CA-C 109.246 -1.542 . . . . 1.0 109.246 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.701 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 1.6 t30 -84.68 -42.03 0.7 Allowed Pre-proline 0 C--O 1.24 0.569 0 O-C-N 125.02 1.071 . . . . 1.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.96 54.45 3.63 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.491 2.794 . . . . 1.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -120.32 -57.37 0.24 Allowed Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -143.8 -61.54 0.4 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.945 1.026 . . . . 1.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -143.87 -126.89 2.01 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.354 -1.498 . . . . 1.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.813 ' O ' HG22 ' A' ' 25' ' ' THR . 8.8 m120 -128.8 -172.02 2.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.067 1.098 . . . . 1.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 16.7 m-85 -146.45 101.12 3.44 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.037 1.461 . . . . 1.0 109.303 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.677 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 5.2 m0 -98.55 130.57 45.12 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.037 1.461 . . . . 1.0 109.285 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 43.1 p -118.44 142.18 47.81 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.978 1.424 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.405 ' HG ' ' HB3' ' A' ' 59' ' ' ASP . 7.3 mp -66.33 132.66 48.86 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.019 1.45 . . . . 1.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -109.32 101.02 43.89 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.989 1.431 . . . . 1.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.64 9.03 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.494 2.796 . . . . 1.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.33 -37.73 83.75 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.955 1.409 . . . . 1.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.4 p -60.68 -57.46 12.62 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.035 1.459 . . . . 1.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.69 -37.48 84.27 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.99 1.431 . . . . 1.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.22 -49.54 75.68 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.979 1.425 . . . . 1.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 mmt -62.99 -57.43 10.73 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.959 1.412 . . . . 1.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.4 t80 73.81 67.56 0.1 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.039 1.462 . . . . 1.0 109.28 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 60.62 60.51 1.92 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.977 1.423 . . . . 1.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -55.05 -48.69 73.11 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.976 1.423 . . . . 1.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.36 -68.52 1.48 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -164.5 -58.63 0.03 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.001 1.059 . . . . 1.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -154.31 57.93 0.71 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.011 1.444 . . . . 1.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 C--N 1.346 0.415 0 O-C-N 125.033 1.458 . . . . 1.0 109.28 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.586 0 CA-C-O 118.368 -0.825 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.544 ' HB ' ' CG ' ' A' ' 39' ' ' TYR . 34.7 m -151.06 -48.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.02 1.45 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' N ' HG23 ' A' ' 2' ' ' VAL . 1.2 mtmt -174.03 170.83 1.66 Allowed Pre-proline 0 C--O 1.24 0.57 0 O-C-N 125.059 1.474 . . . . 1.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' CD ' ' HG2' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.01 171.71 17.8 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.503 2.802 . . . . 1.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.46 41.29 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.545 2.83 . . . . 1.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -135.64 179.96 6.01 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.995 1.434 . . . . 1.0 109.291 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.449 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -111.15 143.44 41.87 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.019 1.449 . . . . 1.0 109.293 -179.544 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -60.83 2.16 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.952 1.407 . . . . 1.0 109.267 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.862 ' O ' HG23 ' A' ' 13' ' ' THR . 2.4 pp -54.67 -44.98 72.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.018 1.449 . . . . 1.0 109.292 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB3' ' CB ' ' A' ' 7' ' ' SER . . . -60.67 -24.13 65.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.005 1.441 . . . . 1.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' CD1' ' NH2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -77.63 -53.2 7.85 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.004 1.44 . . . . 1.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.459 HG21 ' CB ' ' A' ' 58' ' ' ASN . 1.6 mp -58.0 -47.73 85.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.029 1.456 . . . . 1.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.862 HG23 ' O ' ' A' ' 9' ' ' ILE . 28.5 p -43.87 -34.82 1.74 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.948 1.405 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.514 ' HE2' ' NH2' ' A' ' 36' ' ' ARG . 3.0 ttp -83.22 -35.8 25.12 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.019 1.449 . . . . 1.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.614 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -55.55 -49.06 73.69 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.018 1.449 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -56.32 -42.72 74.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 1.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 13' ' ' THR . 53.1 mt -48.78 -40.27 28.33 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.029 1.456 . . . . 1.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.614 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 9.6 mm100 -45.08 -24.35 0.23 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.002 1.439 . . . . 1.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.534 ' CB ' ' HG ' ' A' ' 24' ' ' LEU . 77.3 p -111.52 90.56 12.54 Favored Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.006 1.441 . . . . 1.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 15.29 0.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.541 2.827 . . . . 1.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -130.7 -85.96 0.51 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.007 1.442 . . . . 1.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.711 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER 177.34 40.8 0.0 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.985 1.428 . . . . 1.0 109.278 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -141.51 106.75 5.0 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.046 1.466 . . . . 1.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HG ' ' CB ' ' A' ' 19' ' ' SER . 13.0 mt -120.57 125.03 46.77 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.009 1.443 . . . . 1.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.939 HG22 ' O ' ' A' ' 75' ' ' ASN . 18.3 p -102.8 114.07 28.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.429 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -42.73 -34.62 0.94 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.056 1.472 . . . . 1.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -66.72 -41.56 87.74 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.002 1.438 . . . . 1.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.19 -22.3 68.47 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.22 -52.28 15.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.946 1.027 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.82 -35.73 79.08 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.028 1.455 . . . . 1.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -38.38 81.78 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.975 1.422 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.92 -54.92 40.43 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.992 1.432 . . . . 1.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.485 HG13 ' CD2' ' A' ' 32' ' ' PHE . 14.1 mt -60.03 -57.96 9.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 125.021 1.451 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -53.79 -23.41 11.97 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.925 1.39 . . . . 1.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 32' ' ' PHE . 2.8 t-20 -59.38 -42.49 91.81 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.016 1.447 . . . . 1.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.517 ' NH2' ' CD1' ' A' ' 11' ' ' LEU . 1.2 ptt180 -123.23 37.01 4.51 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.014 1.446 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.495 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 5.7 m-85 -136.03 62.69 47.41 Favored Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -75.04 -65.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.454 2.769 . . . . 1.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.544 ' CG ' ' HB ' ' A' ' 2' ' ' VAL . 64.3 m-85 -67.05 -17.91 65.11 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.982 1.426 . . . . 1.0 109.316 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -48.94 13.92 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.432 . . . . 1.0 109.318 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -38.01 84.01 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.933 1.396 . . . . 1.0 109.281 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.08 -43.38 92.38 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.929 1.393 . . . . 1.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -53.73 11.02 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.029 1.456 . . . . 1.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.56 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.0 t80 -131.71 93.11 28.92 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.984 1.427 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 2.53 6.52 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.534 2.822 . . . . 1.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.506 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -85.43 25.52 1.02 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.987 1.43 . . . . 1.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 52.8 m95 -69.45 -30.27 68.14 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.039 1.462 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -70.39 -47.75 59.39 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.983 1.427 . . . . 1.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -76.37 -53.46 8.14 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.962 1.414 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 83.0 p -47.88 -52.03 20.84 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.993 1.433 . . . . 1.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.544 ' CG1' ' O ' ' A' ' 47' ' ' TRP . 13.4 mm -66.5 -40.58 86.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 125.002 1.439 . . . . 1.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HD2' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -47.67 -39.6 17.73 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.026 1.454 . . . . 1.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -81.63 -56.95 3.68 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.029 1.456 . . . . 1.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.528 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 8.4 t-20 -53.08 -41.83 65.29 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.024 1.453 . . . . 1.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.58 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 18.7 tp -53.19 -49.68 66.22 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.969 1.418 . . . . 1.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.3 t -82.59 -20.26 36.83 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.917 1.386 . . . . 1.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.0 tp -84.59 -5.55 59.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.951 1.407 . . . . 1.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' CB ' HG21 ' A' ' 12' ' ' ILE . 4.4 t30 -96.94 -73.7 0.59 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.027 1.454 . . . . 1.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.578 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 2.9 m-20 -84.04 -39.72 19.26 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.012 1.445 . . . . 1.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 56' ' ' SER . 1.2 m 77.83 36.47 0.25 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.13 -175.91 0.37 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.002 1.439 . . . . 1.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.55 ' CG2' ' OG1' ' A' ' 78' ' ' THR . 11.7 m -105.51 121.57 57.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.977 1.423 . . . . 1.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.607 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 4.6 pttp -104.67 143.01 33.67 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.663 HD11 ' CD1' ' A' ' 76' ' ' TYR . 4.3 pt -104.14 104.78 45.77 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.0 1.438 . . . . 1.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.541 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.03 3.75 5.36 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.5 2.8 . . . . 1.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 52.6 ttt180 169.28 90.24 0.0 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.002 1.439 . . . . 1.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -71.81 145.85 89.93 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 124.952 1.408 . . . . 1.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.04 1.51 7.68 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.507 2.805 . . . . 1.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.55 62.74 0.32 Allowed Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.285 -1.526 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -133.69 156.77 79.17 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 125.051 1.089 . . . . 1.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -27.79 9.64 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.473 2.782 . . . . 1.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.81 61.48 1.22 Allowed Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.285 -1.526 . . . . 1.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -126.2 -57.57 1.39 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.954 1.032 . . . . 1.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.32 -129.83 3.14 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.939 ' O ' HG22 ' A' ' 25' ' ' THR . 81.1 m-20 -155.18 178.07 10.62 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.045 1.085 . . . . 1.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.663 ' CD1' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -129.24 77.3 1.78 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.024 1.453 . . . . 1.0 109.301 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.607 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 8.0 m0 -73.33 126.52 30.31 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.026 1.454 . . . . 1.0 109.302 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 22' ' ' LYS . 73.0 p -121.4 139.21 53.74 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.49 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.19 132.16 46.68 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.68 90.61 48.28 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 125.031 1.457 . . . . 1.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' ASP . 18.4 Cg_endo -74.99 -40.97 0.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.517 2.811 . . . . 1.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -26.52 37.07 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.004 1.44 . . . . 1.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -48.4 78.71 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -115.98 31.86 6.46 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.951 1.407 . . . . 1.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' PRO . 7.7 t70 -81.36 -45.75 15.68 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.433 . . . . 1.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.426 ' SD ' ' OD1' ' A' ' 89' ' ' ASN . 14.6 mmt -79.27 -73.48 0.34 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.955 1.409 . . . . 1.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 44.76 49.93 8.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.425 . . . . 1.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 173.31 -68.61 0.01 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.937 1.398 . . . . 1.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.426 ' OD1' ' SD ' ' A' ' 86' ' ' MET . 3.1 p30 -70.66 -32.94 70.4 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.987 1.43 . . . . 1.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.8 -47.09 92.21 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 109.316 -1.513 . . . . 1.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.8 -46.65 77.96 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.018 1.07 . . . . 1.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -54.72 38.03 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.973 1.421 . . . . 1.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 C--N 1.345 0.383 0 O-C-N 125.003 1.44 . . . . 1.0 109.287 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.566 0 CA-C-O 118.375 -0.821 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.519 ' HB ' ' CE2' ' A' ' 39' ' ' TYR . 28.8 m -148.02 42.19 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.013 1.446 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.507 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 27.97 61.83 0.66 Allowed Pre-proline 0 C--O 1.24 0.568 0 O-C-N 125.008 1.442 . . . . 1.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -74.99 110.85 3.2 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.548 2.832 . . . . 1.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.5 Cg_endo -74.93 -24.62 12.8 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.487 2.791 . . . . 1.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.477 ' CD1' HD21 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -93.28 170.89 9.28 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.262 -179.74 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.511 ' HB2' ' CD1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -124.83 173.62 8.48 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.002 1.439 . . . . 1.0 109.267 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -56.6 -27.66 58.65 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.971 1.42 . . . . 1.0 109.318 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 7' ' ' SER . 0.1 OUTLIER -79.22 4.0 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.993 1.433 . . . . 1.0 109.317 -179.521 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.8 -39.58 2.95 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.979 1.424 . . . . 1.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.546 HD12 ' CE2' ' A' ' 37' ' ' PHE . 3.3 mm? -69.97 -49.15 54.6 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.961 1.413 . . . . 1.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.3 mm -69.17 -41.14 81.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.974 1.421 . . . . 1.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -48.67 -36.2 15.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.955 1.409 . . . . 1.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.469 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -83.35 -28.49 28.94 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.941 1.401 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.551 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -77.81 -40.7 39.7 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.017 1.448 . . . . 1.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.512 HD11 ' CE2' ' A' ' 61' ' ' PHE . 4.4 tp -61.93 -49.02 85.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.039 1.462 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 1.5 pp -63.65 -30.77 71.83 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.951 1.407 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.87 -23.45 2.82 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.018 1.449 . . . . 1.0 109.35 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.566 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 3.0 p -117.31 77.82 10.19 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 31.97 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.583 2.855 . . . . 1.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -126.03 -89.01 0.57 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.985 1.428 . . . . 1.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 173.37 40.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.048 1.468 . . . . 1.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -143.12 90.87 2.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.986 1.429 . . . . 1.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.566 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -102.64 103.41 13.69 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.035 1.459 . . . . 1.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.858 HG22 ' O ' ' A' ' 75' ' ' ASN . 82.1 p -89.25 106.78 18.67 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.95 1.406 . . . . 1.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -50.24 -40.57 48.08 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.0 1.437 . . . . 1.0 109.235 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -43.63 98.42 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.97 1.419 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.63 -36.14 54.26 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.98 -47.6 76.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.051 . . . . 1.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' SG ' ' HG3' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -62.23 -41.07 98.08 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.042 1.464 . . . . 1.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 1.2 tt0 -66.27 -27.13 67.7 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.488 ' CE2' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -81.61 -41.59 21.28 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.487 HG13 ' CE1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -73.28 -36.8 50.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.965 1.415 . . . . 1.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.3 p -71.06 -20.33 62.38 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.979 1.424 . . . . 1.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 31' ' ' GLU . 5.4 m-80 -79.8 -56.91 3.94 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.982 1.426 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 1.7 ptp180 -74.39 -39.27 62.8 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.975 1.422 . . . . 1.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 1.8 m-85 -118.59 72.81 10.82 Favored Pre-proline 0 C--O 1.241 0.617 0 O-C-N 124.977 1.423 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HD3' ' C ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -74.98 -40.08 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.541 2.827 . . . . 1.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CE2' ' HB ' ' A' ' 2' ' ' VAL . 25.9 t80 -62.51 -18.18 61.35 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.005 1.441 . . . . 1.0 109.313 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.703 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -81.15 -44.34 18.03 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.006 1.441 . . . . 1.0 109.325 -179.36 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -43.2 20.88 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.0 1.437 . . . . 1.0 109.285 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.43 -12.18 55.81 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.419 . . . . 1.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -113.32 -37.83 4.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.449 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.858 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 1.1 t80 -132.84 66.85 77.25 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.961 1.413 . . . . 1.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -75.02 -13.91 21.23 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.51 2.806 . . . . 1.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.95 -5.98 58.75 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.425 . . . . 1.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.858 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -84.46 10.39 10.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.956 1.41 . . . . 1.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.414 ' O ' HD13 ' A' ' 51' ' ' ILE . 43.6 tt0 -52.03 -50.87 60.58 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.07 -24.68 32.62 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 14.9 t -52.47 -44.84 65.82 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.043 1.464 . . . . 1.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.481 HG12 ' N ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -82.48 -30.66 9.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.025 1.453 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.481 ' N ' HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.22 -46.08 68.95 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 1.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.414 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -57.77 -57.21 13.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.013 1.445 . . . . 1.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -62.21 -28.39 69.65 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.011 1.445 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.592 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -59.38 -53.68 55.38 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.986 1.429 . . . . 1.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -77.88 -29.18 50.13 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.987 1.429 . . . . 1.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -84.38 18.61 2.16 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.994 1.434 . . . . 1.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 8.1 t-20 -105.14 -86.17 0.47 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.99 1.431 . . . . 1.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.66 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -83.71 -35.89 24.12 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.007 1.442 . . . . 1.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.66 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 75.8 m 89.48 43.63 0.01 OUTLIER 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.044 1.465 . . . . 1.0 109.336 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.635 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.01 -168.15 0.13 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.963 1.414 . . . . 1.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -119.14 115.16 46.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 125.062 1.476 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HE3' ' CH2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -107.03 129.35 54.82 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.96 1.413 . . . . 1.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.03 113.14 41.07 Favored Pre-proline 0 C--O 1.239 0.535 0 O-C-N 124.989 1.43 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 2.81 6.19 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.542 2.828 . . . . 1.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.69 71.37 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 1.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 69' ' ' GLY . 1.6 pm0 -74.06 160.74 80.97 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.053 1.471 . . . . 1.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -74.96 32.25 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.546 2.831 . . . . 1.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 67' ' ' GLU . . . -177.13 38.04 0.09 OUTLIER Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.3 -1.52 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.752 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 22.5 t-20 -70.31 -37.89 7.77 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.018 1.07 . . . . 1.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.752 ' CD ' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.97 51.66 2.84 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.539 2.826 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.9 -57.41 0.05 OUTLIER Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.11 -78.34 0.28 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.985 1.05 . . . . 1.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -143.93 -116.31 1.1 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.858 ' O ' HG22 ' A' ' 25' ' ' THR . 4.2 m120 -133.64 -159.67 0.98 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.004 1.061 . . . . 1.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 7.8 m-85 -146.15 85.07 1.66 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.998 1.436 . . . . 1.0 109.297 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.53 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 10.4 m0 -78.64 133.5 37.24 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.982 1.426 . . . . 1.0 109.302 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 5.1 p -120.44 132.83 55.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.022 1.451 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.57 123.15 20.06 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.985 1.428 . . . . 1.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 4.2 p-10 -69.64 113.03 14.17 Favored Pre-proline 0 C--O 1.24 0.566 0 O-C-N 125.008 1.443 . . . . 1.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.53 5.55 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.471 2.78 . . . . 1.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 67.7 44.01 1.71 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.959 1.412 . . . . 1.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 p -78.34 -41.81 32.41 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.989 1.431 . . . . 1.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.78 33.4 4.41 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.953 1.408 . . . . 1.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -79.73 -47.29 15.54 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.019 1.449 . . . . 1.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -26.15 8.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.992 1.433 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -75.23 -36.22 61.34 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.015 1.447 . . . . 1.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.5 -60.56 2.62 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.961 1.413 . . . . 1.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -67.65 -35.25 78.54 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.97 1.419 . . . . 1.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.77 -47.88 69.15 Favored Glycine 0 C--N 1.344 1.003 0 N-CA-C 109.262 -1.535 . . . . 1.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.434 ' HG ' ' HD1' ' A' ' 92' ' ' PHE . 4.8 t -78.82 -71.17 0.45 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.01 1.065 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 6.0 p90 176.34 74.17 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.94 1.4 . . . . 1.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.379 0 O-C-N 125.027 1.454 . . . . 1.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' N ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.579 0 CA-C-O 118.372 -0.823 . . . . 1.0 109.29 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.511 HG11 ' CD1' ' A' ' 39' ' ' TYR . 84.1 t -135.25 -75.43 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.017 1.448 . . . . 1.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.628 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 5.8 tptt -152.18 -64.13 0.02 OUTLIER Pre-proline 0 C--O 1.24 0.594 0 O-C-N 125.005 1.44 . . . . 1.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.628 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -74.99 161.47 38.75 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.535 2.823 . . . . 1.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.89 15.94 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.462 2.775 . . . . 1.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.613 ' CZ ' ' CH2' ' A' ' 47' ' ' TRP . 3.5 t80 -111.67 138.72 47.86 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.069 1.481 . . . . 1.0 109.289 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 1.3 m -130.02 138.47 50.8 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.987 1.429 . . . . 1.0 109.33 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' LEU . 2.9 m-85 -77.16 -68.37 0.62 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.976 1.423 . . . . 1.0 109.274 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.941 ' O ' HG23 ' A' ' 13' ' ' THR . 0.2 OUTLIER -46.97 -36.62 3.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 125.029 1.456 . . . . 1.0 109.298 -179.539 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 7' ' ' SER . . . -69.46 -32.46 71.4 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD12 ' CG1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -71.04 -50.93 28.69 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.971 1.42 . . . . 1.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG13 ' CD2' ' A' ' 55' ' ' LEU . 1.5 mp -58.76 -53.59 45.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.996 1.435 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.941 HG23 ' O ' ' A' ' 9' ' ' ILE . 20.5 p -42.56 -36.79 1.47 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.994 1.434 . . . . 1.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -80.71 -38.46 28.83 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.015 1.447 . . . . 1.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -62.41 -46.03 90.43 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.012 1.445 . . . . 1.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.418 ' CD1' ' HG ' ' A' ' 24' ' ' LEU . 22.5 mm -65.19 -44.96 95.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.974 1.421 . . . . 1.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -43.53 94.03 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.012 1.445 . . . . 1.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -50.75 -22.07 1.94 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.017 1.448 . . . . 1.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 1.9 p -118.22 76.97 12.59 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 124.995 1.435 . . . . 1.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.01 32.54 0.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.497 2.798 . . . . 1.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.496 ' O ' ' CE ' ' A' ' 22' ' ' LYS . 44.5 tp60 -122.86 -85.93 0.65 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.996 1.435 . . . . 1.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.811 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER 170.84 42.41 0.0 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.98 1.425 . . . . 1.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' C ' HD22 ' A' ' 24' ' ' LEU . 13.1 mttp -141.25 108.51 5.51 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 29' ' ' ILE . 4.3 mm? -120.32 64.62 0.83 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.976 1.423 . . . . 1.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -66.93 121.41 15.44 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.012 1.445 . . . . 1.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -31.94 39.23 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.973 1.421 . . . . 1.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -41.97 84.11 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.988 1.43 . . . . 1.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -80.77 -44.6 8.28 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.455 HD11 ' CD1' ' A' ' 24' ' ' LEU . 1.5 mp -56.25 -49.79 74.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.988 1.052 . . . . 1.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.4 t -59.13 -57.17 14.22 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.002 1.439 . . . . 1.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -62.24 -21.95 65.58 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.981 1.426 . . . . 1.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -73.05 -47.13 47.42 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.432 . . . . 1.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.483 ' CG1' HD12 ' A' ' 11' ' ' LEU . 2.1 mt -66.93 -50.68 62.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.012 1.445 . . . . 1.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.1 p -65.37 -17.56 64.62 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.002 1.439 . . . . 1.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -69.09 -45.62 69.81 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.351 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 20.4 mmm-85 -80.03 -33.81 38.86 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.013 1.446 . . . . 1.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -122.87 83.93 49.96 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 125.001 1.438 . . . . 1.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.46 7.14 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.481 2.787 . . . . 1.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.511 ' CD1' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -71.9 -28.84 63.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.018 1.449 . . . . 1.0 109.284 -179.752 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CE1' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -65.83 -55.23 18.19 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.992 1.432 . . . . 1.0 109.298 -179.357 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -38.08 47.41 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.972 1.42 . . . . 1.0 109.3 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.23 -37.81 78.19 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.938 1.399 . . . . 1.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -54.52 6.85 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.983 1.427 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.544 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.7 t80 -131.39 92.97 30.54 Favored Pre-proline 0 C--O 1.239 0.533 0 O-C-N 125.013 1.446 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 4.92 4.27 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.533 2.822 . . . . 1.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -84.84 23.1 1.23 Allowed 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.016 1.448 . . . . 1.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CH2' ' CZ ' ' A' ' 6' ' ' TYR . 61.6 m95 -69.06 -41.48 77.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.018 1.449 . . . . 1.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -58.41 -43.11 88.47 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.014 1.446 . . . . 1.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -67.47 -56.59 8.95 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -58.17 -47.92 81.89 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.513 ' HA ' ' OD1' ' A' ' 54' ' ' ASN . 73.6 mt -61.97 -61.84 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.963 1.414 . . . . 1.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -42.79 -23.99 0.05 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.569 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -80.49 -58.4 3.14 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.984 1.428 . . . . 1.0 109.333 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.513 ' OD1' ' HA ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -71.66 -32.46 67.92 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.053 1.471 . . . . 1.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.615 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -56.61 -57.39 12.6 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.996 1.435 . . . . 1.0 109.316 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.15 -32.71 59.24 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.978 1.423 . . . . 1.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 tp -85.19 23.57 1.25 Allowed 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 4.5 t-20 -107.54 -85.1 0.52 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.027 1.454 . . . . 1.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.728 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 21.8 m-20 -81.19 -30.0 34.44 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.94 1.4 . . . . 1.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.728 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 9.9 m 86.01 28.74 0.05 OUTLIER 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.045 1.466 . . . . 1.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.68 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -67.33 -178.07 0.79 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.023 1.452 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 10.5 m -112.35 139.23 38.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.016 1.448 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 1.1 pttp -112.46 172.54 6.86 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.001 1.438 . . . . 1.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.421 ' HB ' ' OE2' ' A' ' 67' ' ' GLU . 95.7 mt -109.03 97.16 23.45 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.993 1.433 . . . . 1.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -74.98 10.59 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.563 2.842 . . . . 1.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.51 86.15 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.017 1.448 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.58 ' OE1' ' CE2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -68.62 138.73 91.08 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 124.953 1.408 . . . . 1.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -74.98 -38.98 1.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.516 2.81 . . . . 1.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.4 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . -80.47 -44.8 8.38 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.363 -1.495 . . . . 1.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.83 80.56 8.8 Favored Pre-proline 0 C--O 1.24 0.579 0 O-C-N 124.98 1.047 . . . . 1.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' C ' ' A' ' 69' ' ' GLY . 18.4 Cg_endo -74.97 16.43 0.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.514 2.809 . . . . 1.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.23 -81.66 1.53 Allowed Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.271 -1.532 . . . . 1.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -139.94 50.94 1.72 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.98 1.047 . . . . 1.0 109.304 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.42 ' C ' ' OD1' ' A' ' 75' ' ' ASN . . . -105.75 115.92 5.0 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.1 m-20 -138.65 92.78 2.65 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.058 . . . . 1.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' OE1' ' A' ' 67' ' ' GLU . 16.9 m-85 -89.12 134.21 34.1 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.016 1.448 . . . . 1.0 109.329 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.638 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.1 m0 -106.64 135.35 48.32 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.952 1.407 . . . . 1.0 109.298 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 22' ' ' LYS . 15.0 p -121.87 139.02 54.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.035 1.459 . . . . 1.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.68 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -71.62 127.13 31.57 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.011 1.444 . . . . 1.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -71.59 135.57 83.71 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 59.36 5.19 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.453 2.768 . . . . 1.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.413 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 15.6 pt20 177.45 42.1 0.0 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.028 1.455 . . . . 1.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.9 m -80.55 -26.37 38.03 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.984 1.428 . . . . 1.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -71.4 -43.86 66.02 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.01 1.444 . . . . 1.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 82' ' ' GLN . 2.2 p-10 -81.21 2.63 26.94 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.944 1.403 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -40.56 33.5 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.044 1.465 . . . . 1.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -105.25 -45.99 4.35 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.431 . . . . 1.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -34.92 15.37 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.066 1.478 . . . . 1.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -53.89 -44.96 70.91 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.036 1.46 . . . . 1.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.22 -58.1 10.3 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.269 -1.532 . . . . 1.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.75 -58.96 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.942 1.024 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -179.59 -59.61 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.006 1.441 . . . . 1.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.344 0.363 0 O-C-N 124.984 1.428 . . . . 1.0 109.331 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.574 0 CA-C-O 118.448 -0.787 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.12 -78.58 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.949 1.406 . . . . 1.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.642 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -167.17 -64.57 0.01 OUTLIER Pre-proline 0 C--O 1.239 0.528 0 O-C-N 124.967 1.417 . . . . 1.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.642 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.5 Cg_endo -74.98 122.52 7.27 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.482 2.788 . . . . 1.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 73.88 4.16 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.504 2.802 . . . . 1.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -130.65 171.03 13.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.045 1.466 . . . . 1.0 109.31 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.88 177.69 4.68 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 1.0 109.281 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.716 ' CZ ' ' CZ3' ' A' ' 47' ' ' TRP . 0.6 OUTLIER -80.44 -72.64 0.4 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.311 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.541 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 1.2 mp -54.61 -32.04 24.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.987 1.43 . . . . 1.0 109.313 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -39.81 75.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.968 1.417 . . . . 1.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.531 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -81.49 -37.69 27.52 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.004 1.44 . . . . 1.0 109.307 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.541 ' HB ' ' HA ' ' A' ' 9' ' ' ILE . 1.3 mp -46.84 -37.69 3.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.979 1.424 . . . . 1.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -43.82 -43.12 6.03 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.025 1.453 . . . . 1.0 109.292 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 mtm -81.54 -39.21 25.0 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.954 1.409 . . . . 1.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.502 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -46.81 -32.31 3.61 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.616 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 1.3 tp -77.52 -43.55 30.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 125.023 1.452 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.86 -32.9 15.47 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.991 1.432 . . . . 1.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 1.5 mp0 -51.12 -22.75 2.68 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.994 1.434 . . . . 1.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.429 ' OG ' ' HG ' ' A' ' 24' ' ' LEU . 77.3 p -114.28 85.33 10.42 Favored Pre-proline 0 C--O 1.239 0.552 0 O-C-N 125.017 1.448 . . . . 1.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.0 12.45 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.485 2.79 . . . . 1.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.53 -83.89 0.48 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.043 1.464 . . . . 1.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.48 40.74 0.0 OUTLIER 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.006 1.441 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' CG ' ' HB2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -139.15 99.69 3.82 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.042 1.464 . . . . 1.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' CD1' HD12 ' A' ' 16' ' ' ILE . 27.0 mt -105.05 103.5 13.06 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.028 1.455 . . . . 1.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.903 HG23 ' O ' ' A' ' 75' ' ' ASN . 15.9 m -89.59 102.96 15.64 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.986 1.428 . . . . 1.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -41.12 -37.85 0.95 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.984 1.427 . . . . 1.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.3 m -56.76 -44.91 82.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.992 1.432 . . . . 1.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.05 -27.65 52.27 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.262 -1.535 . . . . 1.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.426 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 21.7 mm -58.2 -54.68 29.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.957 1.034 . . . . 1.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.96 -40.49 75.39 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.973 1.42 . . . . 1.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -55.72 -38.33 69.6 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.012 1.445 . . . . 1.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.529 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.16 -42.39 62.84 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.023 1.452 . . . . 1.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.544 HG23 ' CD1' ' A' ' 37' ' ' PHE . 86.9 mt -67.53 -53.82 28.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.003 1.44 . . . . 1.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.2 t -46.59 -26.46 0.9 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.057 1.473 . . . . 1.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.61 -46.87 74.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.99 1.431 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -100.22 9.72 42.34 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.985 1.428 . . . . 1.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' CD2' ' A' ' 40' ' ' TYR . 12.0 m-85 -137.31 64.15 45.21 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 125.018 1.449 . . . . 1.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -75.05 -52.34 0.11 Allowed 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.485 2.79 . . . . 1.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 39' ' ' TYR . 18.6 t80 -80.56 -9.02 59.79 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.987 1.43 . . . . 1.0 109.357 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -80.01 -39.03 30.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.052 1.47 . . . . 1.0 109.336 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -72.51 -55.33 7.14 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.004 1.44 . . . . 1.0 109.299 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.27 -33.44 3.72 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.038 1.461 . . . . 1.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -52.37 5.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.999 1.437 . . . . 1.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 7.6 t80 -131.77 87.81 44.2 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 124.944 1.402 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 5.32 4.06 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.489 2.793 . . . . 1.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -84.62 26.35 0.82 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.015 1.447 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.716 ' CZ3' ' CZ ' ' A' ' 8' ' ' TYR . 67.4 m95 -68.94 -42.65 76.43 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.018 1.449 . . . . 1.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 2.5 mt-30 -56.25 -43.79 79.04 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.007 1.442 . . . . 1.0 109.335 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -80.62 -43.44 20.52 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.018 1.449 . . . . 1.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 19.8 m -63.84 -65.43 0.68 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.07 1.481 . . . . 1.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.696 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -52.18 -43.59 38.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.998 1.436 . . . . 1.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -43.94 -38.12 3.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.999 1.437 . . . . 1.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -81.58 -56.24 4.14 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.956 1.41 . . . . 1.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 4.2 m120 -59.07 -27.6 65.68 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.975 1.422 . . . . 1.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.696 ' N ' ' O ' ' A' ' 51' ' ' ILE . 16.8 tp -64.72 -53.46 46.97 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.018 1.449 . . . . 1.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -80.68 -5.6 57.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.022 1.451 . . . . 1.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -83.07 -2.96 56.71 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 1.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -97.48 -82.27 0.42 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.977 1.423 . . . . 1.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -87.13 -34.64 19.01 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.995 1.434 . . . . 1.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 78.79 73.52 0.05 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.032 1.458 . . . . 1.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.665 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -86.58 -168.95 2.42 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.983 1.427 . . . . 1.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.445 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 6.4 m -114.53 103.62 15.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 124.986 1.429 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.504 ' C ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -79.99 143.84 33.78 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.992 1.433 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.678 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -129.65 60.81 54.01 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.008 1.443 . . . . 1.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 40.1 0.64 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.496 2.798 . . . . 1.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 1.9 tpm_? 173.36 90.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.041 1.463 . . . . 1.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CB ' HD11 ' A' ' 64' ' ' ILE . 19.9 tp10 -129.24 114.54 18.5 Favored Pre-proline 0 C--O 1.239 0.534 0 O-C-N 124.979 1.425 . . . . 1.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 48.5 2.01 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.555 2.837 . . . . 1.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.54 40.99 0.04 OUTLIER Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.561 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 33.2 t30 -137.97 59.05 17.38 Favored Pre-proline 0 C--O 1.239 0.532 0 O-C-N 125.011 1.065 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.561 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -75.03 70.96 5.18 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.474 2.783 . . . . 1.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.35 -88.0 1.2 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.281 -1.527 . . . . 1.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -141.97 -52.25 0.42 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.974 1.044 . . . . 1.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.57 -115.45 1.16 Allowed Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.903 ' O ' HG23 ' A' ' 25' ' ' THR . 0.5 OUTLIER -137.17 -157.83 0.81 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.997 1.057 . . . . 1.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.453 ' HB2' ' CG ' ' A' ' 23' ' ' LYS . 1.9 p90 -172.25 125.55 0.53 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.95 1.406 . . . . 1.0 109.272 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.563 ' N ' ' CD1' ' A' ' 77' ' ' TRP . 1.9 m0 -94.52 151.6 19.22 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.448 . . . . 1.0 109.331 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.508 ' C ' ' HB3' ' A' ' 61' ' ' PHE . 91.3 m -122.3 133.79 54.67 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.967 1.417 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 128.25 35.34 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.005 1.441 . . . . 1.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.539 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -69.9 -51.88 14.23 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.982 1.426 . . . . 1.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.1 Cg_endo -75.08 42.27 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.529 2.819 . . . . 1.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 165.83 42.49 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.019 1.449 . . . . 1.0 109.33 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 84' ' ' GLU . 81.1 p -80.66 -64.62 1.15 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.954 1.409 . . . . 1.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 83' ' ' SER . 3.7 mt-10 76.02 -8.4 1.63 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.017 1.448 . . . . 1.0 109.248 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.47 -59.62 2.63 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.972 1.42 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.798 ' O ' ' HB3' ' A' ' 87' ' ' PHE . 5.3 mmt -83.2 -89.06 0.09 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.061 1.475 . . . . 1.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.798 ' HB3' ' O ' ' A' ' 86' ' ' MET . 0.1 OUTLIER 155.26 -30.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.995 1.435 . . . . 1.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.622 ' OD2' ' CE2' ' A' ' 87' ' ' PHE . 1.7 p30 175.5 33.44 0.0 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.004 1.44 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -69.7 -49.46 53.15 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.038 1.461 . . . . 1.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 91' ' ' SER . . . -80.87 -76.35 1.04 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.364 -1.494 . . . . 1.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 90' ' ' GLY . 3.2 p 86.4 -11.29 0.63 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.983 1.049 . . . . 1.0 109.263 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.4 t80 175.09 74.09 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.978 1.424 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.428 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 1.2 tm? . . . . . 0 C--N 1.345 0.396 0 O-C-N 124.99 1.431 . . . . 1.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.477 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 2.6 p . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.406 -0.807 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.3 m-85 -81.53 -69.11 0.64 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.98 1.425 . . . . 1.0 109.324 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.514 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -38.62 -43.15 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.999 1.437 . . . . 1.0 109.317 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 7' ' ' SER . . . -68.44 -40.44 81.13 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.03 1.456 . . . . 1.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -55.17 -31.15 61.14 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.996 1.435 . . . . 1.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' ALA . 13.9 mm -82.14 -47.57 19.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.961 1.413 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.432 ' C ' HG22 ' A' ' 16' ' ' ILE . 1.6 m -44.98 -38.02 4.43 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.942 1.401 . . . . 1.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.444 ' HE2' ' O ' ' A' ' 11' ' ' LEU . 4.1 ptt? -83.24 -26.87 30.35 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.962 1.414 . . . . 1.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -77.02 -23.64 52.17 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.985 1.428 . . . . 1.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.622 HD11 ' CD1' ' A' ' 79' ' ' LEU . 4.8 tp -82.22 -49.8 16.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.984 1.428 . . . . 1.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -52.72 -27.27 16.88 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.968 1.417 . . . . 1.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.405 ' OE1' ' HB2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -41.5 -33.74 0.47 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.06 1.475 . . . . 1.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 8.6 p -102.15 111.99 64.93 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 124.985 1.428 . . . . 1.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.86 8.41 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.548 2.832 . . . . 1.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.41 -84.77 0.66 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.997 1.436 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 42.68 0.0 OUTLIER 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.961 1.413 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' HD22 ' A' ' 24' ' ' LEU . 6.9 mtmm -140.71 114.45 8.9 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.01 1.443 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 4.2 mm? -116.02 130.63 56.9 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 75' ' ' ASN . 69.3 p -106.84 104.51 14.21 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.04 1.463 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.32 -34.22 1.17 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.013 1.446 . . . . 1.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 t -66.61 -41.67 88.03 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.031 1.457 . . . . 1.0 109.264 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.15 -16.97 80.15 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.333 -1.507 . . . . 1.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.426 ' O ' HG12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -79.32 -52.79 14.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.993 1.055 . . . . 1.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.2 p -51.78 -45.19 63.72 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.966 1.416 . . . . 1.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -70.75 -29.09 65.23 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.049 1.468 . . . . 1.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -70.8 -34.62 71.93 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.985 1.428 . . . . 1.0 109.3 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 46.8 mm -64.56 -61.21 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.976 1.422 . . . . 1.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -50.67 -22.48 2.08 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.452 . . . . 1.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.29 -32.8 70.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.053 1.471 . . . . 1.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.86 14.5 3.62 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.986 1.429 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 11' ' ' LEU . 5.0 m-85 -140.49 61.09 15.32 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 124.98 1.425 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 18.4 Cg_endo -74.95 -53.57 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.522 2.814 . . . . 1.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -71.43 -19.38 62.25 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.017 1.448 . . . . 1.0 109.306 -179.765 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.72 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 0.5 OUTLIER -80.85 -53.15 6.72 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.984 1.428 . . . . 1.0 109.277 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -41.21 67.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 17.4 tp10 -66.59 -11.64 54.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.443 . . . . 1.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -111.15 -36.73 5.53 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.021 1.451 . . . . 1.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.813 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -132.84 64.9 72.87 Favored Pre-proline 0 C--O 1.24 0.584 0 O-C-N 125.022 1.452 . . . . 1.0 109.242 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.99 -10.62 21.31 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.566 2.844 . . . . 1.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.1 -18.76 45.39 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.971 1.42 . . . . 1.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.813 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -77.15 -2.99 37.19 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.989 1.43 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -48.56 -40.57 27.63 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.425 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -81.71 -38.09 26.32 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.001 1.438 . . . . 1.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.41 ' OG ' ' OH ' ' A' ' 8' ' ' TYR . 53.5 p -48.02 -44.81 31.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.952 1.408 . . . . 1.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 47' ' ' TRP . 90.8 mt -64.89 -41.87 93.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.03 1.456 . . . . 1.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -56.8 -40.33 75.77 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.044 1.465 . . . . 1.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.458 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -56.06 -49.71 73.01 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.486 ' HA ' ' HB3' ' A' ' 57' ' ' LEU . 7.1 m120 -78.84 -21.72 47.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.045 1.466 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.6 ' CD2' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -59.01 -52.99 63.38 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.438 . . . . 1.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 11.5 t -82.75 -22.24 34.42 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.973 1.421 . . . . 1.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -82.56 -9.35 59.44 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.057 1.473 . . . . 1.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.446 ' ND2' HG13 ' A' ' 12' ' ' ILE . 2.3 m-80 -88.6 -82.09 0.25 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.97 1.419 . . . . 1.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.546 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 91.1 m-20 -71.2 -53.3 14.91 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.006 1.441 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 9.9 m 95.85 49.61 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.02 1.45 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.86 -173.5 4.72 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.993 1.433 . . . . 1.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 5.2 m -118.28 124.71 73.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.994 1.434 . . . . 1.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -99.16 147.19 25.36 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.024 1.452 . . . . 1.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.444 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 1.1 pt -106.77 99.76 27.38 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 124.939 1.4 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.0 91.54 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.489 2.793 . . . . 1.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 63.43 71.68 0.5 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.07 1.481 . . . . 1.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 64' ' ' ILE . 3.3 tp10 . . . . . 0 C--O 1.24 0.571 0 O-C-N 124.976 1.423 . . . . 1.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.752 ' O ' HG22 ' A' ' 25' ' ' THR . 5.3 m120 -130.5 175.65 8.8 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.97 1.041 . . . . 1.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -126.65 78.87 1.82 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.049 1.468 . . . . 1.0 109.301 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.6 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 9.2 m0 -72.21 128.28 35.17 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.037 1.46 . . . . 1.0 109.272 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 28.1 m -124.15 135.32 53.41 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.952 1.408 . . . . 1.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.622 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -71.63 131.41 43.15 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.015 1.447 . . . . 1.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 C--O 1.241 0.619 0 O-C-N 124.988 1.43 . . . . 1.0 109.343 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.553 ' OG ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.562 0 CA-C-O 118.406 -0.807 . . . . 1.0 109.324 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.479 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -85.45 -69.61 0.65 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.959 1.412 . . . . 1.0 109.327 -179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 10' ' ' ALA . 1.6 pp -53.52 -57.75 4.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.018 1.449 . . . . 1.0 109.36 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HB3' ' OG ' ' A' ' 7' ' ' SER . . . -50.29 -30.74 12.58 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.949 1.406 . . . . 1.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 7' ' ' SER . 1.2 tt -73.12 -34.76 66.32 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.994 1.434 . . . . 1.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.1 mp -81.42 -51.59 15.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.018 1.449 . . . . 1.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 9' ' ' ILE . 58.9 p -48.69 -36.28 15.8 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.98 1.425 . . . . 1.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.533 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 6.6 ptt? -76.99 -22.88 52.48 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.951 1.407 . . . . 1.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -79.59 -26.83 41.19 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.915 1.384 . . . . 1.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 12' ' ' ILE . 1.4 mp -79.56 -56.63 6.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.978 1.424 . . . . 1.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 3.6 pp -49.86 -28.77 6.96 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.943 1.402 . . . . 1.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -63.32 -13.42 38.64 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.08 1.487 . . . . 1.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 21' ' ' GLN . 17.8 m -115.59 81.79 9.39 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.02 25.38 0.38 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.518 2.812 . . . . 1.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 20.6 tt0 -116.56 -29.49 6.12 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 25.2 mtpt 95.06 30.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.978 1.424 . . . . 1.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -140.36 99.46 3.66 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.02 1.45 . . . . 1.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD13 ' OG ' ' A' ' 19' ' ' SER . 4.6 mm? -96.58 122.81 39.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.011 1.444 . . . . 1.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 75' ' ' ASN . 33.8 p -98.89 110.98 23.5 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.48 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -44.34 -40.67 5.49 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.031 1.457 . . . . 1.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.0 p -58.78 -39.31 80.67 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.97 1.418 . . . . 1.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -80.52 -31.51 36.89 Favored Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.328 -1.509 . . . . 1.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.48 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 3.5 mm -59.98 -58.05 8.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.986 1.051 . . . . 1.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.2 t -57.12 -42.94 81.81 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.022 1.451 . . . . 1.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -67.79 -33.87 75.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.977 1.423 . . . . 1.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 33' ' ' ILE . 7.2 t80 -65.06 -46.38 81.46 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.007 1.442 . . . . 1.0 109.358 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 32' ' ' PHE . 41.4 mm -63.33 -48.56 86.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.979 1.425 . . . . 1.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -24.31 67.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.961 1.413 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -67.52 -39.97 85.08 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.025 1.453 . . . . 1.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -91.52 -46.26 8.07 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.985 1.428 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.487 ' CE2' HD12 ' A' ' 11' ' ' LEU . 3.2 m-85 -122.71 79.0 48.42 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 125.0 1.437 . . . . 1.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -34.28 4.0 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.533 2.822 . . . . 1.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.66 -30.37 69.05 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.981 1.426 . . . . 1.0 109.277 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 1.1 t80 -64.63 -47.57 78.05 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.963 1.414 . . . . 1.0 109.277 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -78.17 -41.82 33.55 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 1.0 109.285 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.03 -21.94 47.6 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.006 1.442 . . . . 1.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -113.99 -19.96 11.21 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.015 1.447 . . . . 1.0 109.344 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.743 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -130.3 66.69 78.72 Favored Pre-proline 0 C--O 1.239 0.524 0 O-C-N 124.997 1.436 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -9.21 20.7 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.473 2.782 . . . . 1.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.23 -17.28 46.63 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.034 1.459 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -81.16 9.74 6.4 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.026 1.453 . . . . 1.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -47.81 84.56 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.007 1.442 . . . . 1.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -81.2 -27.95 35.12 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.039 1.462 . . . . 1.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 t -53.61 -44.32 69.37 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.014 1.446 . . . . 1.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.1 pt -72.94 -34.34 45.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.009 1.443 . . . . 1.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.446 ' NE ' HD11 ' A' ' 26' ' ' LEU . 45.0 mtt180 -58.25 -49.6 76.52 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.988 1.43 . . . . 1.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 22.5 t60 -61.69 -60.32 3.84 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.458 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 12.8 t-20 -56.1 -29.58 60.8 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.016 1.448 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 11.4 tp -67.57 -44.07 79.07 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.955 1.409 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 24.6 p -83.53 -27.82 29.08 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.016 1.447 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -81.97 -16.37 50.61 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.949 1.406 . . . . 1.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 45.9 m-20 -86.11 -76.42 0.34 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.02 1.45 . . . . 1.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 6.2 m-20 -66.77 -60.14 2.94 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.002 1.439 . . . . 1.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 25.9 m 97.69 31.06 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -76.77 -177.21 4.2 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.994 1.434 . . . . 1.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 14.8 m -110.81 123.74 66.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.015 1.447 . . . . 1.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.52 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 2.1 ptpt -97.46 165.41 12.02 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.015 1.447 . . . . 1.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.413 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 54.4 mt -110.27 93.09 14.8 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 125.023 1.452 . . . . 1.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.04 17.62 0.59 Allowed 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.495 2.797 . . . . 1.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 64' ' ' ILE . 43.3 ttt-85 176.56 85.86 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 74' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.589 0 O-C-N 124.992 1.432 . . . . 1.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.811 ' O ' HG22 ' A' ' 25' ' ' THR . 84.5 m-20 -165.86 170.01 14.28 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.048 . . . . 1.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 8.2 m-85 -136.6 90.79 2.59 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.001 1.438 . . . . 1.0 109.292 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.614 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 4.4 m0 -82.64 131.87 35.2 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.0 1.438 . . . . 1.0 109.309 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.563 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 4.5 m -119.27 138.3 53.1 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.493 ' CD1' ' HB3' ' A' ' 59' ' ' ASP . 1.8 tp -70.36 119.84 15.14 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.029 1.456 . . . . 1.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.241 0.609 0 O-C-N 124.96 1.413 . . . . 1.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.563 0 CA-C-O 118.386 -0.816 . . . . 1.0 109.294 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 50' ' ' SER . 0.7 OUTLIER -80.09 -51.96 8.37 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.965 1.416 . . . . 1.0 109.317 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.895 ' O ' HG23 ' A' ' 13' ' ' THR . 0.2 OUTLIER -53.36 -41.73 45.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 124.957 1.411 . . . . 1.0 109.308 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -70.1 -21.22 63.14 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.974 1.421 . . . . 1.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.501 HD23 ' CD1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -80.84 -36.48 31.46 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.003 1.439 . . . . 1.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CD1' HD23 ' A' ' 11' ' ' LEU . 1.4 mp -80.82 -36.8 15.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.029 1.456 . . . . 1.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.895 HG23 ' O ' ' A' ' 9' ' ' ILE . 2.9 p -46.99 -42.33 17.8 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.015 1.447 . . . . 1.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.432 ' HE3' ' HD2' ' A' ' 36' ' ' ARG . 6.8 ptt? -82.8 -24.1 33.55 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.962 1.414 . . . . 1.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -68.43 -56.15 9.43 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -44.0 -48.55 2.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 124.977 1.423 . . . . 1.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.406 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 3.3 mp -50.08 -25.96 3.96 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.966 1.416 . . . . 1.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 13.9 mm100 -45.79 -27.8 0.92 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.991 1.432 . . . . 1.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.5 m -102.87 104.16 37.76 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 125.023 1.452 . . . . 1.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.05 0.74 8.57 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.478 2.785 . . . . 1.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 22' ' ' LYS . 1.6 tp60 -124.75 -82.24 0.64 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.977 1.423 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.811 ' O ' HG22 ' A' ' 78' ' ' THR . 1.6 ptmt 178.29 39.06 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.014 1.446 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CG ' ' HB2' ' A' ' 76' ' ' TYR . 5.0 mptt -132.7 90.62 2.79 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.0 1.437 . . . . 1.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -77.48 114.86 16.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.989 1.43 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.2 p -101.81 98.4 8.65 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.943 1.402 . . . . 1.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -51.91 -21.62 3.15 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.983 1.427 . . . . 1.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 p -75.4 -24.47 57.17 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.026 1.454 . . . . 1.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' GLU . . . -81.17 -57.75 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -43.53 -45.53 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.989 1.052 . . . . 1.0 109.328 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.9 t -50.47 -37.2 37.17 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLY . 8.1 tp10 -82.07 -31.55 30.78 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.974 1.421 . . . . 1.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.662 ' CE2' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -79.92 -55.6 4.85 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.027 1.454 . . . . 1.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.662 ' CD1' ' CE2' ' A' ' 32' ' ' PHE . 4.8 mm -56.47 -38.69 57.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.973 1.421 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -79.89 -24.4 41.18 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.991 1.432 . . . . 1.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 32' ' ' PHE . 1.1 m-20 -61.12 -49.0 79.04 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.002 1.439 . . . . 1.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HD2' ' HE3' ' A' ' 14' ' ' MET . 0.1 OUTLIER -89.6 -25.78 21.13 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.014 1.446 . . . . 1.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 36' ' ' ARG . 9.8 m-85 -128.99 69.23 80.76 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 124.974 1.421 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 36' ' ' ARG . 18.1 Cg_endo -75.05 -56.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.482 2.788 . . . . 1.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -53.59 -23.84 12.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.972 1.42 . . . . 1.0 109.264 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -38.06 89.1 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.965 1.415 . . . . 1.0 109.298 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -61.95 -53.6 53.34 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.942 1.401 . . . . 1.0 109.324 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -38.67 75.17 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.978 1.423 . . . . 1.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -53.21 18.09 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.959 1.412 . . . . 1.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.4 t80 -133.38 96.18 17.39 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.992 1.432 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.81 10.4 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.479 2.786 . . . . 1.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -84.92 23.84 1.15 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.949 1.405 . . . . 1.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 32.2 m95 -68.16 -58.4 4.51 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.998 1.436 . . . . 1.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.55 ' CD ' ' CD1' ' A' ' 26' ' ' LEU . 24.6 tt0 -50.15 -36.37 29.82 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.046 1.466 . . . . 1.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -72.56 -48.09 42.82 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 3.0 p -65.6 -60.88 2.46 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.979 1.424 . . . . 1.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.732 ' O ' ' N ' ' A' ' 55' ' ' LEU . 7.5 pt -48.28 -54.43 4.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.007 1.442 . . . . 1.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' N ' ' CG1' ' A' ' 51' ' ' ILE . 0.3 OUTLIER -44.73 -39.42 5.16 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.015 1.447 . . . . 1.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -71.97 -54.98 8.29 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.952 1.408 . . . . 1.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' ND2' ' OD1' ' A' ' 58' ' ' ASN . 14.3 t30 -66.47 -29.0 69.03 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.016 1.447 . . . . 1.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 51' ' ' ILE . 2.9 mt -54.73 -54.28 44.03 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.986 1.429 . . . . 1.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -74.96 -26.47 59.61 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.07 16.7 2.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.007 1.442 . . . . 1.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' OD1' ' ND2' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -113.55 -83.27 0.6 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.003 1.439 . . . . 1.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.555 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.6 m-20 -81.97 -39.23 23.95 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.997 1.436 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 6.1 m 92.24 52.32 0.0 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.036 1.46 . . . . 1.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -92.06 -170.57 2.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.051 1.469 . . . . 1.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 3.3 t -118.04 135.66 57.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.025 1.453 . . . . 1.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.628 ' HB3' ' CE2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -103.36 142.75 33.68 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.289 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.565 ' N ' ' HD3' ' A' ' 65' ' ' PRO . 1.1 pp -130.72 58.46 38.94 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 125.016 1.448 . . . . 1.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 33.61 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.52 2.813 . . . . 1.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 64' ' ' ILE . 5.4 ttm180 -173.96 63.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.988 1.43 . . . . 1.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--O 1.24 0.57 0 O-C-N 125.039 1.462 . . . . 1.0 109.266 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.32 -172.39 2.61 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.021 1.071 . . . . 1.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.542 ' CD1' HD11 ' A' ' 64' ' ' ILE . 3.7 p90 -158.65 118.84 3.22 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.961 1.413 . . . . 1.0 109.316 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.628 ' CE2' ' HB3' ' A' ' 63' ' ' LYS . 3.3 m0 -94.23 153.36 18.1 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.058 1.474 . . . . 1.0 109.275 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 22' ' ' LYS . 65.3 p -131.43 144.97 51.57 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.983 1.427 . . . . 1.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -71.35 152.47 43.16 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.002 1.439 . . . . 1.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.239 0.524 0 O-C-N 125.052 1.47 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 36.5 t . . . . . 0 C--O 1.24 0.604 0 CA-C-O 118.405 -0.807 . . . . 1.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.432 ' HB3' ' ND2' ' A' ' 54' ' ' ASN . 9.5 m-85 -75.54 -50.06 16.79 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.964 1.415 . . . . 1.0 109.305 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 10' ' ' ALA . 28.9 pt -57.12 -39.91 69.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.32 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 7' ' ' SER . . . -54.2 -40.29 67.46 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.029 1.456 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 7' ' ' SER . 41.8 mt -71.56 -47.18 56.65 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.986 1.429 . . . . 1.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.5 ' CG2' HD23 ' A' ' 55' ' ' LEU . 5.7 mm -60.99 -40.55 85.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.037 1.46 . . . . 1.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -45.04 -42.04 8.12 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 1.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.456 ' CE ' ' CZ ' ' A' ' 36' ' ' ARG . 23.4 ttp -79.67 -31.26 41.4 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.69 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -64.15 -44.99 90.43 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.511 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -75.15 -34.66 32.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.017 1.448 . . . . 1.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.69 -44.6 96.34 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.94 1.4 . . . . 1.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -47.44 -24.61 0.85 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.034 1.459 . . . . 1.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.426 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.5 p -71.78 114.47 28.9 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.019 1.449 . . . . 1.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.18 10.88 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.523 2.816 . . . . 1.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.76 -82.87 0.23 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.004 1.44 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.83 38.71 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 1.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 76' ' ' TYR . 11.9 mttm -131.27 105.73 7.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.031 1.457 . . . . 1.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 3.5 mm? -104.62 111.07 23.62 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.98 1.425 . . . . 1.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.818 HG22 ' O ' ' A' ' 75' ' ' ASN . 53.0 p -85.67 104.47 15.42 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.99 1.431 . . . . 1.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HG ' ' CD ' ' A' ' 52' ' ' ARG . 2.5 tm? -43.09 -29.34 0.35 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.945 1.403 . . . . 1.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.0 m -76.29 -42.49 45.23 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.84 -21.68 65.47 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 mp -74.41 -46.74 42.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 125.014 1.067 . . . . 1.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 p -56.89 -35.76 69.34 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.967 1.417 . . . . 1.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 4.7 tt0 -73.92 -44.99 53.31 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.032 1.458 . . . . 1.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.69 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -51.41 -45.08 62.41 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.036 1.46 . . . . 1.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.84 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 4.5 mt -79.51 -27.1 12.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 124.995 1.434 . . . . 1.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -65.47 -28.96 69.58 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.643 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 1.6 p-10 -85.45 -2.03 57.68 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.04 1.463 . . . . 1.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.555 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 2.4 ptt180 -135.56 6.14 3.22 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.977 1.423 . . . . 1.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.84 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 2.2 m-85 -131.16 72.9 81.16 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.036 1.46 . . . . 1.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' O ' ' HB2' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.03 -66.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.498 2.799 . . . . 1.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.526 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -80.99 1.02 33.03 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.969 1.418 . . . . 1.0 109.313 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.611 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -86.34 -50.42 6.94 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.937 1.398 . . . . 1.0 109.274 -179.32 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -84.35 -41.91 16.28 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -66.06 -7.03 15.0 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.018 1.449 . . . . 1.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -107.81 -49.29 3.25 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.44 . . . . 1.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.745 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.1 t80 -131.11 71.27 82.28 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.03 1.456 . . . . 1.0 109.225 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -4.85 16.01 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.537 2.825 . . . . 1.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . . . -80.93 -20.09 42.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.997 1.436 . . . . 1.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.745 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.69 12.07 5.14 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.982 1.426 . . . . 1.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.8 -44.59 90.82 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.974 1.421 . . . . 1.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -81.37 -38.54 26.45 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.024 1.452 . . . . 1.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -48.27 -40.69 25.61 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.045 1.466 . . . . 1.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.521 HD11 ' CE2' ' A' ' 47' ' ' TRP . 88.2 mt -66.71 -41.29 87.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 1.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.517 ' CD ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.1 -42.53 76.92 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.988 1.43 . . . . 1.0 109.358 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.503 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -57.35 -57.93 10.5 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.019 1.449 . . . . 1.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 8' ' ' TYR . 2.3 t30 -65.68 -24.17 66.94 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.982 1.426 . . . . 1.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.509 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -59.01 -51.97 67.77 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.0 1.438 . . . . 1.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 3.9 t -84.88 -17.89 36.51 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 1.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.3 mm? -83.23 -15.3 50.92 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.021 1.451 . . . . 1.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -88.12 -84.81 0.19 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.021 1.45 . . . . 1.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.4 m-20 -61.36 -54.37 44.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.001 1.438 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 94.62 44.14 0.0 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.001 1.438 . . . . 1.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -85.67 -176.23 5.96 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.03 1.456 . . . . 1.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 84.0 t -112.6 127.04 70.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.965 1.415 . . . . 1.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HB2' ' NE1' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -105.71 137.6 43.3 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.949 1.406 . . . . 1.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.556 HG21 ' CG ' ' A' ' 67' ' ' GLU . 3.0 mp -88.77 111.37 43.91 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.007 1.442 . . . . 1.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 -9.05 20.6 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.477 2.785 . . . . 1.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.57 84.78 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.556 ' CG ' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.549 0 O-C-N 124.995 1.435 . . . . 1.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.818 ' O ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -168.32 177.15 5.53 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.988 1.052 . . . . 1.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.503 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -127.6 97.34 4.82 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.996 1.435 . . . . 1.0 109.316 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.506 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 14.1 m0 -80.71 133.42 35.68 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.976 1.423 . . . . 1.0 109.279 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 30.8 p -120.59 133.62 55.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.993 1.433 . . . . 1.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.68 133.55 46.74 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.983 1.427 . . . . 1.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 1.4 p-10 . . . . . 0 C--O 1.239 0.51 0 O-C-N 125.037 1.461 . . . . 1.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.24 0.579 0 CA-C-O 118.409 -0.805 . . . . 1.0 109.274 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -47.26 13.57 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.985 1.428 . . . . 1.0 109.273 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.784 ' O ' HG23 ' A' ' 13' ' ' THR . 22.6 pt -61.29 -48.0 90.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 125.027 1.454 . . . . 1.0 109.337 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -55.03 -24.84 26.69 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.954 1.409 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.56 HD11 ' CE2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -80.92 -45.27 17.0 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.019 1.449 . . . . 1.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.578 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.8 mp -74.14 -45.72 47.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.988 1.43 . . . . 1.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.784 HG23 ' O ' ' A' ' 9' ' ' ILE . 17.6 p -41.22 -34.51 0.49 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.993 1.433 . . . . 1.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -83.87 -33.03 24.9 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.944 1.402 . . . . 1.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.792 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -63.18 -47.38 82.88 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.993 1.433 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 79' ' ' LEU . 2.2 tp -49.28 -42.71 15.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.034 1.459 . . . . 1.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.0 mm? -51.68 -31.64 26.63 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.95 1.406 . . . . 1.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.792 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -42.49 -31.65 0.46 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 1.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -127.11 99.2 28.75 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.79 10.39 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.487 2.791 . . . . 1.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.61 -76.76 0.6 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 1.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.724 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER 167.37 42.5 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.029 1.456 . . . . 1.0 109.334 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.31 93.9 2.63 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.003 1.439 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' A' ' 16' ' ' ILE . 1.1 mp -106.6 119.93 40.6 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.015 1.447 . . . . 1.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 75' ' ' ASN . 52.7 p -95.42 102.68 14.51 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.952 1.408 . . . . 1.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 2.8 tm? -45.24 -30.26 1.18 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t -60.29 -45.86 91.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 1.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.15 -24.33 61.67 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 34.7 mm -60.39 -54.16 38.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 125.067 1.098 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 t -54.57 -44.99 73.45 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.99 1.431 . . . . 1.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -66.51 -31.96 73.01 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.04 1.463 . . . . 1.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.654 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 1.1 t80 -67.44 -43.7 80.5 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.004 1.44 . . . . 1.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.557 HD13 ' CE2' ' A' ' 32' ' ' PHE . 49.3 mm -62.57 -58.47 7.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.054 1.471 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.7 p -59.81 -18.66 45.48 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.93 1.394 . . . . 1.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.67 -38.14 80.67 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.98 1.425 . . . . 1.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.567 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -128.03 6.88 6.01 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 88.1 m-85 -142.16 62.03 13.14 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.947 1.404 . . . . 1.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.98 -47.24 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.549 2.833 . . . . 1.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.82 -21.81 62.41 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.019 1.45 . . . . 1.0 109.295 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CD1' ' CH2' ' A' ' 47' ' ' TRP . 1.4 t80 -68.51 -49.44 59.6 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.025 1.453 . . . . 1.0 109.278 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -73.38 -33.5 65.07 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.446 . . . . 1.0 109.293 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -14.56 62.01 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.0 10.77 10.18 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.451 . . . . 1.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.81 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.9 t80 -178.83 65.01 0.17 Allowed Pre-proline 0 C--O 1.24 0.594 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.99 -17.75 19.32 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.515 2.81 . . . . 1.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.21 -17.07 64.51 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.01 1.444 . . . . 1.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.81 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -80.14 -1.1 38.76 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.984 1.427 . . . . 1.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -60.46 -41.72 94.73 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.029 1.456 . . . . 1.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 9.2 t30 -80.43 -39.14 28.8 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.008 1.442 . . . . 1.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.44 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 89.3 p -56.34 -48.95 75.72 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.971 1.419 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 81.9 mt -51.29 -30.82 10.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.439 . . . . 1.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' NE ' ' HG ' ' A' ' 26' ' ' LEU . 12.4 mtp180 -80.21 -37.94 32.15 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.985 1.428 . . . . 1.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -60.04 -61.32 2.7 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -25.68 67.93 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.99 1.431 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.569 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 1.4 mt -58.14 -53.18 61.21 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.005 1.441 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.478 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 3.1 t -81.94 -17.72 46.07 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.8 mp -81.28 -12.0 59.2 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.005 1.44 . . . . 1.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -98.79 -84.45 0.4 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.992 1.432 . . . . 1.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.622 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.1 m-20 -55.64 -52.84 62.46 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.966 1.416 . . . . 1.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER 95.26 37.46 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.002 1.439 . . . . 1.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -84.88 -176.65 6.31 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.452 . . . . 1.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -119.33 127.0 75.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.041 1.463 . . . . 1.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -104.88 142.38 34.85 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.948 1.405 . . . . 1.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 1.0 OUTLIER -125.87 70.44 66.59 Favored Pre-proline 0 C--O 1.239 0.528 0 O-C-N 124.901 1.376 . . . . 1.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.06 42.3 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.479 2.786 . . . . 1.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER 174.8 68.81 0.0 OUTLIER 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.415 . . . . 1.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--O 1.24 0.572 0 O-C-N 125.043 1.464 . . . . 1.0 109.29 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 109.27 -1.532 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 25' ' ' THR . 12.0 p30 -131.87 -165.28 1.56 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.022 1.072 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -157.42 136.8 11.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.993 1.433 . . . . 1.0 109.339 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.549 ' N ' ' CD1' ' A' ' 77' ' ' TRP . 2.3 m0 -95.68 145.87 24.95 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.995 1.434 . . . . 1.0 109.251 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 22' ' ' LYS . 37.1 p -126.59 136.1 52.1 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.998 1.436 . . . . 1.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.544 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -72.66 131.01 41.85 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.452 . . . . 1.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.314 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.546 0 CA-C-O 118.406 -0.807 . . . . 1.0 109.262 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.5 m-85 -81.16 -70.87 0.5 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.058 1.474 . . . . 1.0 109.303 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -47.76 -37.6 6.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.034 1.459 . . . . 1.0 109.325 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.01 -30.43 71.41 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.985 1.428 . . . . 1.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.676 ' CD2' ' CZ ' ' A' ' 37' ' ' PHE . 2.9 tm? -71.9 -57.28 4.45 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.992 1.433 . . . . 1.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 16' ' ' ILE . 2.1 mp -59.16 -42.41 86.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 125.028 1.455 . . . . 1.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -47.08 -37.52 9.74 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.001 1.438 . . . . 1.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.484 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 32.9 ttp -82.76 -35.14 26.81 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.982 1.426 . . . . 1.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -71.1 -30.19 66.23 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.931 1.394 . . . . 1.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.544 HD13 ' CE2' ' A' ' 61' ' ' PHE . 11.2 tp -79.65 -51.25 16.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.43 . . . . 1.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 0.9 OUTLIER -60.65 -28.37 68.52 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.987 1.43 . . . . 1.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 2.6 pp0? -49.6 -25.38 2.74 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.989 1.43 . . . . 1.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -69.4 114.79 26.57 Favored Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.03 1.456 . . . . 1.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -75.01 -1.42 11.21 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.492 2.794 . . . . 1.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -140.01 -83.91 0.24 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.971 1.419 . . . . 1.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.534 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER -179.43 37.29 0.0 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.02 1.45 . . . . 1.0 109.324 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -142.86 108.08 4.99 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.031 1.457 . . . . 1.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HB2' HD11 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -117.2 128.66 55.32 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.031 1.457 . . . . 1.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 75' ' ' ASN . 29.2 p -95.95 119.37 34.32 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.98 1.425 . . . . 1.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -49.66 -38.44 32.54 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 1.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.8 p -52.7 -39.18 61.76 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -79.07 -30.96 44.63 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.469 HD11 ' HB2' ' A' ' 24' ' ' LEU . 1.7 mp -59.05 -37.87 70.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 124.95 1.029 . . . . 1.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.43 -56.55 11.87 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.014 1.446 . . . . 1.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -67.25 -33.48 75.42 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' GLY . 1.5 t80 -56.89 -32.25 65.69 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.019 1.449 . . . . 1.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mt -75.18 -57.32 6.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 125.0 1.437 . . . . 1.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 t -54.72 -18.36 4.56 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.965 1.416 . . . . 1.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 10.6 m120 -74.5 -44.56 50.76 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.971 1.419 . . . . 1.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -90.21 -47.81 7.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.995 1.434 . . . . 1.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.676 ' CZ ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -119.0 81.79 20.27 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 125.005 1.441 . . . . 1.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.25 5.6 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.531 2.821 . . . . 1.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -26.5 59.53 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.014 1.446 . . . . 1.0 109.292 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CG ' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -65.2 -55.03 20.87 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.02 1.45 . . . . 1.0 109.299 -179.351 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -59.7 -41.37 90.62 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.26 -7.82 53.16 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.019 1.45 . . . . 1.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.61 -46.27 4.39 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.988 1.43 . . . . 1.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.739 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.4 t80 -138.28 73.56 43.46 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.037 1.46 . . . . 1.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.95 17.45 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.514 2.809 . . . . 1.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.74 -11.01 59.68 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.979 1.424 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.739 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -89.48 18.27 5.49 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.469 . . . . 1.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.68 -52.15 58.77 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.031 1.457 . . . . 1.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 36.9 t30 -80.32 -27.15 38.46 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.976 1.423 . . . . 1.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.54 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 38.8 m -53.84 -44.27 70.16 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.405 ' CG1' HD11 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -72.43 -28.09 27.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.001 1.438 . . . . 1.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.508 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 20.8 mtm180 -65.07 -43.45 92.19 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.957 1.411 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -59.84 -53.34 59.08 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.0 1.437 . . . . 1.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.484 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 5.1 m120 -69.26 -25.78 64.44 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.949 1.406 . . . . 1.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.586 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 11.7 tp -59.39 -50.93 72.05 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 1.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.563 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.1 t -77.94 -27.01 49.24 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.015 1.447 . . . . 1.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.2 mp -84.38 5.42 27.19 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.999 1.437 . . . . 1.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.415 ' OD1' ' OD2' ' A' ' 59' ' ' ASP . 14.6 t-20 -94.83 -83.37 0.35 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.031 1.457 . . . . 1.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.584 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 21.3 m-20 -79.55 -27.21 41.28 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.961 1.413 . . . . 1.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 75.34 33.67 0.67 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.997 1.436 . . . . 1.0 109.271 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -67.83 -176.17 0.63 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -112.51 125.75 69.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 125.04 1.462 . . . . 1.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -107.83 151.24 26.0 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.95 1.406 . . . . 1.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 1.3 mp -110.78 95.85 25.8 Favored Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 5.02 4.24 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.512 2.808 . . . . 1.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.86 83.15 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 . . . . . 0 C--O 1.24 0.578 0 O-C-N 125.007 1.442 . . . . 1.0 109.327 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 109.287 -1.525 . . . . 1.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.709 ' O ' HG22 ' A' ' 25' ' ' THR . 4.1 m-80 -153.73 -156.09 0.65 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.04 1.082 . . . . 1.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -155.77 112.75 3.22 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.005 1.44 . . . . 1.0 109.324 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 3.0 m0 -89.54 129.67 35.98 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.0 1.438 . . . . 1.0 109.276 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 48.9 p -114.44 141.77 47.24 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.029 1.456 . . . . 1.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.505 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -74.32 124.05 25.75 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.969 1.418 . . . . 1.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.55 0 O-C-N 125.041 1.463 . . . . 1.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 1.3 p . . . . . 0 C--O 1.24 0.573 0 CA-C-O 118.393 -0.813 . . . . 1.0 109.334 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.433 ' OH ' ' CB ' ' A' ' 50' ' ' SER . 3.6 m-85 -82.57 -68.37 0.71 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.959 1.412 . . . . 1.0 109.284 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 13' ' ' THR . 1.8 pp -45.98 -52.68 2.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.016 1.447 . . . . 1.0 109.316 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -52.15 -29.43 22.06 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.012 1.445 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.551 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -82.26 -55.12 4.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.963 1.414 . . . . 1.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.504 ' CG2' ' ND2' ' A' ' 58' ' ' ASN . 1.5 mp -51.43 -48.57 34.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 125.01 1.443 . . . . 1.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 9' ' ' ILE . 13.6 p -39.64 -41.72 1.09 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.989 1.43 . . . . 1.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.1 ttp -81.98 -36.84 27.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.015 1.447 . . . . 1.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -57.94 -30.57 66.06 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.003 1.44 . . . . 1.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.493 HG21 ' CD1' ' A' ' 79' ' ' LEU . 50.3 mm -71.34 -34.43 53.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.982 1.426 . . . . 1.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.39 -29.36 69.87 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.934 1.396 . . . . 1.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 12.1 mm-40 -44.73 -26.99 0.44 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.437 . . . . 1.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.414 ' OG ' HD22 ' A' ' 24' ' ' LEU . 24.6 m -100.06 106.06 39.17 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.012 1.445 . . . . 1.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.1 Cg_endo -75.04 1.42 7.78 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.539 2.826 . . . . 1.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -84.32 0.65 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.985 1.428 . . . . 1.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.82 40.5 0.0 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.0 1.438 . . . . 1.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.555 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -140.97 109.41 5.9 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.026 1.454 . . . . 1.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 HD11 ' O ' ' A' ' 15' ' ' ALA . 2.7 mm? -94.12 130.15 40.42 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.012 1.445 . . . . 1.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 75' ' ' ASN . 73.3 p -104.06 107.59 18.55 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.908 1.38 . . . . 1.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 4.1 tp -46.9 -30.12 2.37 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.982 1.426 . . . . 1.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.4 m -65.02 -44.14 90.17 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 1.0 109.252 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -78.8 -25.64 59.99 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 5.2 mm -60.55 -56.88 14.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 O-C-N 125.007 1.063 . . . . 1.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 t -66.23 -40.64 90.42 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.998 1.436 . . . . 1.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 11.8 tt0 -64.17 -38.27 90.47 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.985 1.428 . . . . 1.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.541 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -60.1 -56.62 19.41 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.996 1.435 . . . . 1.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.486 HG13 ' CE2' ' A' ' 32' ' ' PHE . 4.5 mt -66.06 -13.83 16.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.992 1.433 . . . . 1.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 t -82.69 -41.73 18.97 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.966 1.417 . . . . 1.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.541 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -82.27 -26.56 33.05 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.633 ' CG ' ' CE1' ' A' ' 37' ' ' PHE . 14.4 tpt180 -82.33 -43.06 17.93 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.997 1.435 . . . . 1.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CE1' ' CG ' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -129.59 86.1 56.67 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.034 1.459 . . . . 1.0 109.298 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.16 0.42 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.472 2.781 . . . . 1.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -64.02 -30.31 71.4 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.982 1.426 . . . . 1.0 109.282 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -51.17 34.17 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.997 1.436 . . . . 1.0 109.331 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -20.76 66.2 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.299 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -83.13 -26.38 31.02 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.021 1.451 . . . . 1.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -108.23 10.26 27.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.98 1.425 . . . . 1.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.576 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 65.7 t80 174.78 76.53 0.06 OUTLIER Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.016 1.448 . . . . 1.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 6.6 3.33 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.49 2.793 . . . . 1.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . . . -85.8 25.42 1.1 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.01 1.444 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.576 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 72.7 m95 -69.25 -57.03 5.88 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.951 1.407 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.482 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -46.88 -27.62 1.31 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.023 1.452 . . . . 1.0 109.304 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -82.27 -51.77 7.6 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.954 1.409 . . . . 1.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.433 ' CB ' ' OH ' ' A' ' 8' ' ' TYR . 22.0 p -64.56 -51.0 65.07 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.021 1.451 . . . . 1.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.565 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 2.8 pt -62.13 -35.8 70.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.979 1.424 . . . . 1.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 48' ' ' GLN . 9.4 mtt180 -51.08 -42.83 60.86 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.962 1.414 . . . . 1.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 57' ' ' LEU . 2.1 m-70 -81.55 -57.68 3.36 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.027 1.454 . . . . 1.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -51.85 -46.3 64.34 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.017 1.448 . . . . 1.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.63 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 22.4 tp -54.21 -52.2 62.02 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.028 1.455 . . . . 1.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 p -70.28 -34.82 73.23 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.991 1.432 . . . . 1.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' HIS . 1.2 mp -86.62 17.18 4.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.968 1.418 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.504 ' ND2' ' CG2' ' A' ' 12' ' ' ILE . 10.5 t30 -100.13 -87.02 0.38 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.06 1.475 . . . . 1.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 41.8 m-20 -82.53 -34.57 27.83 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.052 1.47 . . . . 1.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 89.89 40.72 0.01 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.63 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -69.52 -175.8 0.89 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.983 1.427 . . . . 1.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 17.3 m -115.77 114.62 46.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.039 1.462 . . . . 1.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -104.38 147.0 28.03 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.008 1.442 . . . . 1.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.577 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -97.38 108.19 43.29 Favored Pre-proline 0 C--O 1.241 0.619 0 O-C-N 125.028 1.455 . . . . 1.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 12.81 1.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.557 2.838 . . . . 1.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 177.88 84.01 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.044 1.465 . . . . 1.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' A' ' 74' ' ' GLY . 7.8 pt-20 . . . . . 0 C--O 1.24 0.578 0 O-C-N 125.009 1.443 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.487 ' O ' ' OE1' ' A' ' 67' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.721 ' O ' HG22 ' A' ' 25' ' ' THR . 82.1 m-20 -120.09 -175.37 2.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.999 1.058 . . . . 1.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.487 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -146.85 90.11 1.88 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.963 1.414 . . . . 1.0 109.297 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.587 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 4.1 m0 -77.43 137.25 38.58 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.035 1.46 . . . . 1.0 109.27 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 18.7 m -114.02 134.53 54.8 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.493 ' CD1' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -72.31 135.64 46.01 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.995 1.434 . . . . 1.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 1.2 p30 . . . . . 0 C--O 1.24 0.587 0 O-C-N 124.997 1.436 . . . . 1.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.24 0.558 0 CA-C-O 118.35 -0.833 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -24.26 55.32 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.026 1.454 . . . . 1.0 109.288 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 mm -51.12 -40.0 21.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 125.011 1.444 . . . . 1.0 109.292 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.99 85.61 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.954 1.409 . . . . 1.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' HG ' ' CE2' ' A' ' 37' ' ' PHE . 7.0 mp -66.87 -39.45 87.52 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.014 1.446 . . . . 1.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.446 HD12 ' CD1' ' A' ' 55' ' ' LEU . 41.3 mm -55.46 -45.99 78.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.975 1.422 . . . . 1.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -45.37 -40.21 7.7 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.936 1.397 . . . . 1.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 36' ' ' ARG . 42.8 ttp -80.81 -35.02 33.56 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.998 1.436 . . . . 1.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.566 ' HA ' ' CE1' ' A' ' 32' ' ' PHE . . . -60.1 -54.03 50.79 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.015 1.447 . . . . 1.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -64.29 -41.23 91.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.415 . . . . 1.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.85 -37.96 64.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.955 1.41 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -52.01 -20.33 2.35 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.024 1.453 . . . . 1.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.47 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 66.3 m -114.4 81.81 7.04 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.004 1.44 . . . . 1.0 109.304 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.5 Cg_endo -75.05 3.01 6.02 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.505 2.804 . . . . 1.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -110.26 -77.98 0.59 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.004 1.44 . . . . 1.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 5.6 mtmm 163.55 44.32 0.0 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.002 1.439 . . . . 1.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 95.7 3.13 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.032 1.457 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 3.7 mt -119.52 114.82 22.85 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.949 1.405 . . . . 1.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.857 HG22 ' O ' ' A' ' 75' ' ' ASN . 19.7 p -102.87 115.18 30.1 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.022 1.451 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' CD2' ' CZ ' ' A' ' 52' ' ' ARG . 1.3 tp -43.96 -35.16 1.93 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.967 1.417 . . . . 1.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -70.32 -41.23 73.54 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.959 1.412 . . . . 1.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.09 -20.32 70.35 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 109.304 -1.518 . . . . 1.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.2 mp -78.98 -45.77 24.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.97 1.041 . . . . 1.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -60.63 -44.11 96.73 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.009 1.443 . . . . 1.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.37 -23.87 64.72 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.007 1.442 . . . . 1.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -74.08 -45.36 49.79 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.968 1.417 . . . . 1.0 109.345 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -50.19 71.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.972 1.42 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 84.8 p -56.62 -23.46 41.15 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.982 1.426 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -75.45 -51.96 11.82 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.003 1.439 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HG3' ' CE ' ' A' ' 14' ' ' MET . 12.9 mmt180 -75.77 -51.04 13.52 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.952 1.408 . . . . 1.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CE2' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -115.54 80.9 8.4 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.06 -33.73 4.3 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.535 2.823 . . . . 1.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 2.5 m-85 -75.73 -25.48 56.63 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.623 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -62.21 -51.78 66.4 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 1.0 109.29 -179.349 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 34' ' ' SER . 0.3 OUTLIER -73.63 -29.12 62.16 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.997 1.436 . . . . 1.0 109.304 -179.53 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.74 -13.74 58.72 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.036 1.46 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -121.2 11.2 10.81 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.006 1.441 . . . . 1.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.792 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.9 t80 179.77 65.1 0.13 Allowed Pre-proline 0 C--O 1.24 0.601 0 O-C-N 124.98 1.425 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -75.0 -14.91 20.99 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.531 2.821 . . . . 1.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.49 -10.68 59.8 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.958 1.411 . . . . 1.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.792 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -89.03 12.34 15.81 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.982 1.426 . . . . 1.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.84 -49.27 73.45 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.973 1.421 . . . . 1.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -82.28 -36.79 26.7 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.417 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 20.0 p -57.26 -54.57 45.34 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.965 1.416 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 tt -54.71 -30.14 22.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.005 1.44 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.549 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 1.1 mtm180 -70.58 -39.99 73.54 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.972 1.42 . . . . 1.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 1.9 m170 -61.82 -59.69 4.77 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.0 1.438 . . . . 1.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -61.8 -26.11 67.9 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.943 1.402 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.446 ' CD1' HD12 ' A' ' 12' ' ' ILE . 1.1 tp -62.63 -49.26 75.88 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.98 1.425 . . . . 1.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.5 t -83.54 -17.56 41.42 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.437 . . . . 1.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 mp -83.74 -21.85 32.13 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.028 1.455 . . . . 1.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -87.31 -79.3 0.28 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.973 1.421 . . . . 1.0 109.316 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.737 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 3.8 m-20 -56.98 -51.27 69.87 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.991 1.432 . . . . 1.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 81.36 46.13 0.03 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.967 1.417 . . . . 1.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.737 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -88.25 -178.48 5.93 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.059 1.474 . . . . 1.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 78' ' ' THR . 75.2 t -117.4 127.36 74.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 1.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.609 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -102.69 165.09 11.26 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.017 1.448 . . . . 1.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 67' ' ' GLU . 1.1 pt -114.49 83.58 8.84 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 124.949 1.406 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.0 16.62 0.64 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.517 2.811 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 175.76 88.02 0.01 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.984 1.428 . . . . 1.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.568 0 O-C-N 124.946 1.404 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 109.32 -1.512 . . . . 1.0 109.32 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.857 ' O ' HG22 ' A' ' 25' ' ' THR . 6.4 m-80 -146.56 -160.61 1.18 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.046 1.086 . . . . 1.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 38.2 m-85 -145.84 86.27 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.952 1.407 . . . . 1.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.609 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 5.8 m0 -81.64 125.92 31.14 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.272 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 40.8 p -120.31 143.45 48.36 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.971 1.42 . . . . 1.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -71.08 135.44 47.71 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.957 1.411 . . . . 1.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.57 0 O-C-N 125.018 1.449 . . . . 1.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.455 ' C ' HD13 ' A' ' 11' ' ' LEU . 1.5 t . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.373 -0.822 . . . . 1.0 109.258 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.793 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 52.7 p90 -51.44 -23.43 3.88 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.532 HD11 ' CE2' ' A' ' 8' ' ' TYR . 35.7 mm -67.61 -33.44 62.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.969 1.418 . . . . 1.0 109.357 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.91 3.25 16.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.017 1.448 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.793 ' HB2' ' HA ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -81.76 -42.74 19.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 1.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 1.1 mp -41.91 -33.66 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.991 1.432 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 m -53.17 -36.48 60.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.076 1.485 . . . . 1.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 mtm -81.19 -43.66 18.97 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -57.42 -28.21 63.07 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.974 1.421 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.534 HD11 ' CE2' ' A' ' 61' ' ' PHE . 35.3 mm -85.47 -50.97 14.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.973 1.421 . . . . 1.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -63.13 -41.84 99.4 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.973 1.421 . . . . 1.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -47.85 -24.85 1.1 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -67.82 114.93 22.97 Favored Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.971 1.42 . . . . 1.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.51 8.82 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.517 2.811 . . . . 1.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -140.2 -84.53 0.23 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.013 1.446 . . . . 1.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 176.23 35.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.993 1.433 . . . . 1.0 109.37 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 24.5 mttp -144.88 113.39 6.65 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.972 1.42 . . . . 1.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -115.63 130.06 56.72 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.039 1.462 . . . . 1.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.783 HG22 ' O ' ' A' ' 75' ' ' ASN . 40.0 p -90.95 112.99 25.11 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.033 1.458 . . . . 1.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -44.58 -25.9 0.31 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.98 1.425 . . . . 1.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.0 m -64.9 -47.39 77.98 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.005 1.441 . . . . 1.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.43 -19.0 69.84 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.501 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 24.7 mm -75.55 -52.92 17.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.001 1.06 . . . . 1.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.4 p -57.59 -34.79 69.61 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.977 1.423 . . . . 1.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -81.81 -30.56 32.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.972 1.42 . . . . 1.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -62.68 -43.55 98.53 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.456 . . . . 1.0 109.278 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.491 HG23 ' CD2' ' A' ' 37' ' ' PHE . 3.1 mt -71.95 -47.71 54.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.27 -26.34 0.78 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.049 1.468 . . . . 1.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.52 -38.52 91.3 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.943 1.402 . . . . 1.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ILE . 5.6 mmp_? -82.67 -40.86 20.13 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.044 1.465 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.513 ' CZ ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -123.91 81.22 56.32 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.034 1.459 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -37.76 1.94 Allowed 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.488 2.792 . . . . 1.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.487 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -79.46 -2.55 42.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.959 1.412 . . . . 1.0 109.324 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.744 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 1.1 t80 -85.73 -47.33 9.87 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.974 1.421 . . . . 1.0 109.261 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -74.32 -50.58 18.19 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.972 1.42 . . . . 1.0 109.352 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.487 ' CG ' ' HA ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -60.65 -14.47 20.84 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.994 1.434 . . . . 1.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -123.5 16.16 9.63 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.994 1.434 . . . . 1.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.754 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.6 t80 178.77 64.34 0.11 Allowed Pre-proline 0 C--O 1.24 0.605 0 O-C-N 124.988 1.43 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -75.01 -10.41 21.18 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.463 2.775 . . . . 1.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.55 -21.12 61.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.96 1.412 . . . . 1.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.754 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -81.96 0.89 37.96 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.029 1.456 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -56.32 -40.68 74.78 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.964 1.415 . . . . 1.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -82.67 -31.66 28.53 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.002 1.439 . . . . 1.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.8 p -58.93 -53.24 60.62 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.493 ' CD1' ' CB ' ' A' ' 8' ' ' TYR . 1.8 tt -57.59 -27.95 30.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.947 1.404 . . . . 1.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -75.9 -35.01 59.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.967 1.417 . . . . 1.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -63.97 -57.3 10.14 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.948 1.405 . . . . 1.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -53.56 -26.11 19.99 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.499 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 8.0 tp -72.49 -47.46 48.46 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.994 1.434 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.531 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.2 t -83.11 -13.52 55.49 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.982 1.426 . . . . 1.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.6 mm? -88.04 -19.04 27.66 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.06 1.475 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -88.91 -79.92 0.3 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.021 1.451 . . . . 1.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.638 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -63.6 -48.77 76.01 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.012 1.445 . . . . 1.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 80.59 26.93 0.26 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.034 1.459 . . . . 1.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.663 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -64.78 -168.04 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.968 1.417 . . . . 1.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.12 144.15 18.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -132.31 158.37 42.05 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 1.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.576 ' CD1' ' CE2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -118.39 78.89 14.79 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 125.03 1.456 . . . . 1.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 18.0 Cg_endo -75.06 22.82 0.41 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.484 2.789 . . . . 1.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 64' ' ' ILE . 0.6 OUTLIER 175.53 72.98 0.01 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.012 1.445 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 C--O 1.24 0.567 0 O-C-N 124.995 1.434 . . . . 1.0 109.293 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.783 ' O ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -141.59 -150.12 0.3 Allowed 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.95 1.029 . . . . 1.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.576 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -153.55 133.07 12.9 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.021 1.45 . . . . 1.0 109.318 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 6.9 m0 -111.65 133.79 53.66 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.036 1.46 . . . . 1.0 109.3 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 75.0 p -104.53 -144.44 0.37 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.037 1.461 . . . . 1.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.663 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -141.96 124.5 15.81 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.015 1.447 . . . . 1.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.548 0 O-C-N 124.968 1.418 . . . . 1.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 4.9 m . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.426 -0.797 . . . . 1.0 109.234 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' LEU . 37.6 m-85 -81.85 -71.0 0.5 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.281 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.458 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -43.59 -29.28 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 125.029 1.456 . . . . 1.0 109.29 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 7' ' ' SER . . . -69.63 -48.86 58.49 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.977 1.423 . . . . 1.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.544 ' HG ' HD12 ' A' ' 12' ' ' ILE . 1.9 pp -78.74 -25.13 44.5 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.544 HD12 ' HG ' ' A' ' 11' ' ' LEU . 1.2 mp -80.28 -41.71 20.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.3 m -51.43 -39.26 57.0 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.046 1.466 . . . . 1.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.4 ptt? -75.35 -31.2 60.47 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.077 1.486 . . . . 1.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.613 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -63.88 -52.47 59.83 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.036 1.46 . . . . 1.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.4 -45.26 93.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 125.019 1.449 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.02 -31.58 70.07 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.038 1.461 . . . . 1.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.579 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -49.63 -22.0 1.19 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.947 1.405 . . . . 1.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -110.65 92.94 15.27 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.967 1.417 . . . . 1.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.02 10.3 1.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.514 2.809 . . . . 1.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -117.06 -79.32 0.59 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.968 1.417 . . . . 1.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HB3' HG23 ' A' ' 78' ' ' THR . 8.7 mttt 163.96 39.54 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 1.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.99 111.12 7.84 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.442 . . . . 1.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 16' ' ' ILE . 3.6 mt -121.67 117.08 25.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.968 1.418 . . . . 1.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 75' ' ' ASN . 15.3 p -101.07 116.81 33.71 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.998 1.436 . . . . 1.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.681 HD11 ' CG ' ' A' ' 52' ' ' ARG . 4.4 tt -47.59 -38.56 14.71 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.964 1.415 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -61.98 -44.69 96.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.922 1.389 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -73.71 -39.72 47.67 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.37 -51.31 65.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 125.031 1.077 . . . . 1.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 t -56.35 -51.7 67.29 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.039 1.462 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -65.66 -26.79 67.95 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.007 1.442 . . . . 1.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -69.27 -39.51 78.35 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.518 HD13 ' CE2' ' A' ' 32' ' ' PHE . 39.0 mm -65.28 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.45 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.9 p -48.02 -22.64 0.63 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.033 1.458 . . . . 1.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -59.29 -37.87 78.76 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.007 1.442 . . . . 1.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD2' ' SD ' ' A' ' 14' ' ' MET . 0.6 OUTLIER -136.46 17.69 3.14 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.024 1.453 . . . . 1.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.707 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 2.2 m-85 -141.08 51.0 2.15 Favored Pre-proline 0 C--O 1.24 0.557 0 O-C-N 124.949 1.406 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.707 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -75.04 -47.54 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.524 2.816 . . . . 1.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -62.66 -18.65 62.73 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.004 1.44 . . . . 1.0 109.314 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.481 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -82.4 -51.59 7.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.004 1.44 . . . . 1.0 109.296 -179.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -62.02 -48.11 81.75 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 1.0 109.313 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' A' ' 39' ' ' TYR . 10.1 pt-20 -65.88 -18.84 65.61 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.978 1.424 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -93.45 -34.04 13.57 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.996 1.435 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.822 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -149.34 73.53 9.93 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 124.97 1.419 . . . . 1.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -13.11 21.49 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.491 2.794 . . . . 1.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.87 -16.86 42.86 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.03 1.456 . . . . 1.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.822 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -79.85 11.87 3.02 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.981 1.425 . . . . 1.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.29 -50.38 73.11 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.011 1.444 . . . . 1.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 15.8 t-20 -74.64 -36.69 62.89 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.002 1.439 . . . . 1.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -48.06 -42.67 29.19 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.06 1.475 . . . . 1.0 109.324 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 3.1 mt -72.79 -30.16 32.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 125.012 1.445 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.681 ' CG ' HD11 ' A' ' 26' ' ' LEU . 6.7 mtp180 -56.66 -47.06 80.62 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.021 1.451 . . . . 1.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.541 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -57.6 -57.46 12.62 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.996 1.435 . . . . 1.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -32.8 71.58 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.977 1.423 . . . . 1.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.561 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -55.27 -54.56 41.97 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.942 1.401 . . . . 1.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.6 t -77.94 -31.63 51.09 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.02 1.45 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 6.0 mp -82.62 19.74 1.24 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.981 1.425 . . . . 1.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -103.63 -87.11 0.43 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.945 1.403 . . . . 1.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.638 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 9.4 m-20 -85.43 -36.62 20.52 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.985 1.428 . . . . 1.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 22.1 m 90.51 55.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.021 1.451 . . . . 1.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.11 -167.64 0.42 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.037 1.461 . . . . 1.0 109.326 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.9 m -127.94 118.54 48.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.024 1.452 . . . . 1.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.545 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 8.8 ttpp -90.13 146.3 24.4 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.023 1.452 . . . . 1.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 1.1 pt -115.86 79.29 7.83 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.964 1.415 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.43 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -74.97 18.0 0.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.525 2.817 . . . . 1.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 175.56 84.45 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.947 1.405 . . . . 1.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.598 0 O-C-N 124.988 1.43 . . . . 1.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.562 ' O ' HG22 ' A' ' 25' ' ' THR . 15.2 m-80 -158.17 -173.26 4.25 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.99 1.053 . . . . 1.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.418 ' CD2' HD11 ' A' ' 64' ' ' ILE . 6.1 m-85 -133.79 95.99 3.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.962 1.414 . . . . 1.0 109.245 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.554 ' CZ2' HD12 ' A' ' 26' ' ' LEU . 7.3 m0 -83.02 129.52 35.04 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.042 1.464 . . . . 1.0 109.306 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 22' ' ' LYS . 27.2 m -124.86 143.41 50.85 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.986 1.429 . . . . 1.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.64 121.55 17.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.005 1.44 . . . . 1.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--O 1.24 0.573 0 O-C-N 125.031 1.457 . . . . 1.0 109.32 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.555 0 CA-C-O 118.401 -0.809 . . . . 1.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -63.8 -61.73 2.11 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.73 ' O ' HG23 ' A' ' 13' ' ' THR . 41.6 pt -55.53 -44.42 76.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.007 1.442 . . . . 1.0 109.293 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -55.58 -27.89 51.89 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' A' ' 37' ' ' PHE . 7.1 tt -82.4 -53.03 6.33 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.423 . . . . 1.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.9 mm -48.5 -47.36 14.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.991 1.432 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 9' ' ' ILE . 26.8 p -42.95 -36.0 1.4 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.001 1.438 . . . . 1.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -35.9 28.26 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.974 1.421 . . . . 1.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -64.0 -44.39 92.8 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.955 1.409 . . . . 1.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.502 HD11 ' CD1' ' A' ' 79' ' ' LEU . 5.9 tp -59.1 -45.85 92.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.455 . . . . 1.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -34.2 10.96 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.011 1.444 . . . . 1.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 20.4 mm100 -47.24 -32.99 5.01 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.028 1.455 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.432 ' OG ' ' HG ' ' A' ' 24' ' ' LEU . 93.9 p -114.25 86.99 12.66 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.0 1.437 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.97 19.46 0.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.486 2.791 . . . . 1.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 mm-40 -128.46 -87.52 0.55 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.96 1.413 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -178.71 41.27 0.0 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.009 1.443 . . . . 1.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -140.32 103.1 4.5 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.99 1.432 . . . . 1.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' CD2' HD11 ' A' ' 29' ' ' ILE . 6.6 mt -106.14 132.82 51.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.009 1.443 . . . . 1.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 75' ' ' ASN . 69.9 p -120.47 93.94 4.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.946 1.404 . . . . 1.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 55' ' ' LEU . 2.5 tm? -42.84 -34.58 0.97 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.033 1.458 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.2 p -58.99 -46.75 87.38 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 1.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -73.63 -39.75 48.22 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.288 -1.525 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.495 HD11 ' CD2' ' A' ' 24' ' ' LEU . 1.8 mp -56.02 -44.66 79.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 125.002 1.06 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.403 ' SG ' ' OE1' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -58.62 -43.98 89.82 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.01 1.443 . . . . 1.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.12 -31.49 72.38 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.964 1.415 . . . . 1.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.513 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -70.49 -49.88 43.77 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.957 1.411 . . . . 1.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.513 HG13 ' CE2' ' A' ' 32' ' ' PHE . 1.9 mt -64.08 -53.49 43.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.993 1.433 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.4 m -44.37 -33.03 1.5 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.952 1.408 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -79.41 -37.77 36.38 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.993 1.433 . . . . 1.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 4.3 mpt_? -74.7 -43.77 53.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.994 1.434 . . . . 1.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CE1' HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -128.77 83.33 66.52 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.56 5.27 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.563 2.842 . . . . 1.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.38 -28.35 59.46 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.989 1.431 . . . . 1.0 109.274 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.606 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -61.61 -54.61 40.6 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.0 1.438 . . . . 1.0 109.284 -179.304 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -32.93 72.05 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.97 1.419 . . . . 1.0 109.298 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.47 -5.59 58.79 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.062 1.476 . . . . 1.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -109.04 -47.71 3.39 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.979 1.424 . . . . 1.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.774 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -135.71 74.58 58.39 Favored Pre-proline 0 C--O 1.24 0.596 0 O-C-N 125.016 1.447 . . . . 1.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -10.92 21.26 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.492 2.794 . . . . 1.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.47 -9.99 59.59 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.97 1.419 . . . . 1.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.774 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -87.03 18.46 3.57 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.028 1.455 . . . . 1.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.5 tp60 -61.45 -48.63 80.28 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.987 1.429 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 9.5 t-20 -83.72 -27.77 28.73 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.944 1.403 . . . . 1.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -54.74 -47.98 73.15 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.013 1.446 . . . . 1.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 48' ' ' GLN . 7.8 tt -65.1 -34.16 68.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.959 1.412 . . . . 1.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.468 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.57 -48.16 81.85 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.977 1.423 . . . . 1.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.455 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.1 t60 -52.91 -48.71 67.03 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.998 1.437 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 58' ' ' ASN . 22.7 m120 -72.55 -29.7 63.8 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.043 1.464 . . . . 1.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.597 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -54.72 -52.67 61.74 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.019 1.45 . . . . 1.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -76.57 -31.6 57.64 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.013 1.445 . . . . 1.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 53' ' ' HIS . 4.5 mm? -84.86 12.23 7.81 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.971 1.419 . . . . 1.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.464 ' ND2' ' CG2' ' A' ' 12' ' ' ILE . 13.2 t30 -97.27 -77.88 0.49 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.952 1.408 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.752 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.2 m-20 -75.79 -60.6 2.24 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.993 1.433 . . . . 1.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.685 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 21.7 p 128.55 44.25 0.0 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.997 1.435 . . . . 1.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.752 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -104.63 179.83 4.16 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -121.77 164.15 19.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.98 1.425 . . . . 1.0 109.268 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.08 163.88 19.67 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.982 1.426 . . . . 1.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pp -114.07 85.45 10.15 Favored Pre-proline 0 C--O 1.239 0.533 0 O-C-N 124.982 1.426 . . . . 1.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.01 44.68 1.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.515 2.81 . . . . 1.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.31 86.1 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.583 0 O-C-N 124.999 1.437 . . . . 1.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.611 ' O ' HG22 ' A' ' 25' ' ' THR . 7.5 m120 -137.38 -175.45 4.07 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.026 1.074 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 23' ' ' LYS . 8.3 m-85 -134.91 101.92 5.06 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.982 1.426 . . . . 1.0 109.318 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.533 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 8.3 m0 -93.21 141.95 27.85 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.009 1.443 . . . . 1.0 109.27 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 41.5 p -121.62 145.99 47.44 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.038 1.461 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.528 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -85.6 146.08 27.04 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.983 1.427 . . . . 1.0 109.268 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.557 0 O-C-N 124.965 1.416 . . . . 1.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.587 0 CA-C-O 118.398 -0.81 . . . . 1.0 109.337 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.495 ' CE1' HG22 ' A' ' 51' ' ' ILE . 47.1 m-85 -64.64 -42.93 95.11 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.993 1.433 . . . . 1.0 109.265 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 13' ' ' THR . 39.3 pt -49.23 -38.63 11.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.986 1.429 . . . . 1.0 109.294 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.96 -26.7 39.91 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -50.16 12.29 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.03 1.456 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.7 mp -53.94 -54.45 20.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.966 1.416 . . . . 1.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 9' ' ' ILE . 8.2 p -44.44 -35.04 2.25 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.038 1.461 . . . . 1.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.419 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.4 tmm? -82.4 -30.07 30.44 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.019 1.45 . . . . 1.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -76.51 -33.34 58.63 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.033 1.458 . . . . 1.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.451 HD11 ' CE2' ' A' ' 61' ' ' PHE . 48.4 mm -64.24 -45.56 95.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.006 1.441 . . . . 1.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -59.88 -29.49 68.35 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 1.0 109.27 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 28.3 mm-40 -42.35 -34.43 0.8 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.025 1.453 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 23' ' ' LYS . 14.7 m -109.77 101.17 45.77 Favored Pre-proline 0 C--O 1.24 0.59 0 O-C-N 125.009 1.443 . . . . 1.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 12.52 1.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.485 2.79 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.7 mt-30 -118.89 -85.83 0.65 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.974 1.421 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.563 ' O ' HG22 ' A' ' 78' ' ' THR . 3.9 ttpp 174.64 41.1 0.0 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.984 1.427 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' A' ' 19' ' ' SER . 4.8 mtmm -140.94 106.82 5.14 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.98 1.425 . . . . 1.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 2.2 mt -115.97 121.09 41.24 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.039 1.462 . . . . 1.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 75' ' ' ASN . 25.8 p -102.05 105.91 16.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.998 1.436 . . . . 1.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 3.8 tt -42.86 -35.52 1.21 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.016 1.447 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.9 p -58.58 -48.78 79.78 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.443 . . . . 1.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -16.21 80.89 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.476 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 6.1 mm -79.31 -54.1 12.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 125.014 1.067 . . . . 1.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.5 p -55.59 -41.36 73.28 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.023 1.452 . . . . 1.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -74.0 -27.48 60.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.016 1.448 . . . . 1.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -66.12 -38.94 89.4 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.962 1.413 . . . . 1.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' A' ' 37' ' ' PHE . 2.8 mt -70.19 -57.03 9.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.474 ' HB2' ' CD ' ' A' ' 41' ' ' ARG . 92.2 p -44.39 -29.49 0.69 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.982 1.426 . . . . 1.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 76.1 m-20 -61.14 -44.29 97.56 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.007 1.442 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.591 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 31.5 mmt-85 -78.68 -40.8 32.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.039 1.462 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -130.26 81.21 68.97 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 125.017 1.448 . . . . 1.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -25.79 11.48 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.492 2.795 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.51 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 33.3 p90 -81.74 -15.42 54.39 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.991 1.432 . . . . 1.0 109.33 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -80.81 -50.95 9.18 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.474 ' CD ' ' HB2' ' A' ' 34' ' ' SER . 0.0 OUTLIER -57.26 -35.27 69.54 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.985 1.428 . . . . 1.0 109.332 -179.573 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.492 ' CG ' ' HA ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -84.1 -6.79 59.46 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 4.6 mmtp -114.78 11.04 16.67 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.959 1.412 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.826 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.9 t80 179.43 68.16 0.13 Allowed Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.998 1.436 . . . . 1.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.36 20.36 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.492 2.795 . . . . 1.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.59 -15.4 63.52 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.826 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -84.24 4.88 28.83 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.986 1.429 . . . . 1.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.433 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -56.38 -47.97 77.83 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.987 1.43 . . . . 1.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -82.28 -25.31 34.15 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.954 1.409 . . . . 1.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.526 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 8.3 t -56.6 -50.87 70.7 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.495 HG22 ' CE1' ' A' ' 8' ' ' TYR . 29.1 pt -57.74 -40.84 77.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.93 1.394 . . . . 1.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.44 ' N ' HG13 ' A' ' 51' ' ' ILE . 12.0 ttm180 -60.02 -47.66 84.92 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.036 1.46 . . . . 1.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -53.91 -52.14 61.5 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 1.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 3.1 t-20 -69.7 -26.36 64.32 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.971 1.419 . . . . 1.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.598 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -55.02 -53.67 52.89 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 1.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 t -79.05 -24.95 43.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.017 1.448 . . . . 1.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -83.59 21.39 1.23 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.013 1.445 . . . . 1.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 2.8 m-80 -112.26 -85.54 0.57 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.058 1.474 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.672 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -84.64 -22.66 29.82 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.006 1.442 . . . . 1.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 1.4 m 74.87 41.76 0.3 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.963 1.414 . . . . 1.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.672 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -77.43 -176.99 4.45 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.068 1.48 . . . . 1.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -108.96 127.03 65.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.949 1.406 . . . . 1.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -113.99 150.5 33.76 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.003 1.439 . . . . 1.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 67' ' ' GLU . 1.8 pp -99.68 106.03 37.68 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 124.974 1.421 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.493 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -4.69 15.77 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.494 2.796 . . . . 1.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 17.3 ttt180 170.6 85.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.967 1.417 . . . . 1.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.509 ' HB2' HD13 ' A' ' 64' ' ' ILE . 2.9 tp10 . . . . . 0 C--O 1.24 0.553 0 O-C-N 125.001 1.438 . . . . 1.0 109.329 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.833 ' O ' HG22 ' A' ' 25' ' ' THR . 1.3 m120 -115.64 -161.57 0.79 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.991 1.053 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -142.45 103.69 4.29 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.974 1.421 . . . . 1.0 109.28 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.57 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 8.3 m95 -105.76 115.26 29.93 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.043 1.464 . . . . 1.0 109.265 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 22' ' ' LYS . 72.7 p -117.52 142.55 47.03 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.011 1.444 . . . . 1.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.563 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 2.5 mp -70.93 124.83 25.26 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.024 1.452 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.578 0 O-C-N 124.959 1.412 . . . . 1.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.586 0 CA-C-O 118.404 -0.807 . . . . 1.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -80.59 -58.82 2.93 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 1.0 109.273 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -45.26 -38.83 2.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.004 1.44 . . . . 1.0 109.32 -179.528 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -66.45 -37.66 85.63 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.977 1.423 . . . . 1.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 1.8 mm? -73.86 -47.18 40.08 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.433 . . . . 1.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.8 mp -60.69 -40.97 86.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.983 1.427 . . . . 1.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -42.13 -44.61 3.72 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.945 1.403 . . . . 1.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.1 ttp -82.03 -30.21 31.57 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.514 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -60.39 -38.97 85.63 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.984 1.428 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -78.68 -45.16 25.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.994 1.434 . . . . 1.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.44 -30.56 5.22 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.96 1.413 . . . . 1.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -45.94 -29.07 1.28 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.05 1.469 . . . . 1.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.435 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 89.3 p -114.56 87.62 14.54 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.71 8.58 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.502 2.802 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -87.56 0.49 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.422 . . . . 1.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.82 39.28 0.0 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.037 1.46 . . . . 1.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 8.3 tttt -139.91 111.91 7.52 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.956 1.41 . . . . 1.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -122.66 137.68 54.83 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.976 HG22 ' O ' ' A' ' 75' ' ' ASN . 81.3 p -123.66 105.47 9.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 2.9 tm? -47.53 -39.74 17.03 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.014 1.446 . . . . 1.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.7 p -62.14 -40.92 97.58 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 1.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.43 -20.92 65.57 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.257 -1.537 . . . . 1.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.4 mm -77.28 -51.8 17.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 124.954 1.032 . . . . 1.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.7 p -57.8 -36.97 72.94 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.012 1.445 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.05 -34.0 70.82 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.01 1.444 . . . . 1.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.62 -51.91 65.45 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.004 1.44 . . . . 1.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.538 HG13 ' CE2' ' A' ' 32' ' ' PHE . 2.4 mt -60.37 -29.64 44.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.964 1.415 . . . . 1.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 p -71.24 -35.44 71.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.004 1.44 . . . . 1.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.28 -40.9 25.98 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.928 1.393 . . . . 1.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.544 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 3.6 tpt180 -75.88 -52.07 11.13 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.976 1.423 . . . . 1.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -119.03 80.19 18.43 Favored Pre-proline 0 C--O 1.24 0.591 0 O-C-N 125.021 1.451 . . . . 1.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.0 -34.46 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.526 2.817 . . . . 1.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.8 -16.47 59.44 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.051 1.469 . . . . 1.0 109.317 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.673 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -75.88 -51.63 12.08 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.023 1.452 . . . . 1.0 109.292 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -77.29 -35.79 54.76 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.942 1.401 . . . . 1.0 109.297 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 1.7 tt0 -58.7 -21.0 53.57 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 1.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -106.76 -29.21 9.69 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.004 1.44 . . . . 1.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.725 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -134.53 70.0 72.4 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.99 1.432 . . . . 1.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.25 20.69 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.514 2.809 . . . . 1.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.86 -24.94 33.02 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 1.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -74.06 -7.73 53.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.001 1.438 . . . . 1.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.43 ' O ' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.2 -34.56 32.34 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.009 1.443 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -83.88 -35.16 24.33 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.024 1.452 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -52.54 65.3 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.963 1.414 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -48.22 -39.19 8.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.985 1.428 . . . . 1.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -66.67 -39.93 88.38 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.952 1.407 . . . . 1.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -62.56 -54.82 33.99 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.055 1.472 . . . . 1.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 35.6 t-20 -63.4 -31.95 73.24 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.99 1.431 . . . . 1.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.579 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 45.8 tp -56.56 -54.08 50.1 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.991 1.432 . . . . 1.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.543 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.3 t -74.5 -26.02 59.74 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.995 1.435 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.53 13.87 6.32 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.964 1.415 . . . . 1.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.457 ' OD1' ' OD2' ' A' ' 59' ' ' ASP . 15.5 t-20 -101.16 -84.18 0.44 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.975 1.422 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.604 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 16.3 m-20 -80.25 -20.84 43.59 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.001 1.438 . . . . 1.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 1.5 m 73.41 35.46 0.89 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.944 1.403 . . . . 1.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.685 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -72.76 -173.79 1.28 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -108.44 155.24 9.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.002 1.439 . . . . 1.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.571 ' CB ' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.8 160.37 31.08 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.984 1.427 . . . . 1.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.573 ' CD1' ' CD2' ' A' ' 76' ' ' TYR . 18.5 mt -97.18 107.86 40.7 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.969 1.418 . . . . 1.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.02 -21.74 15.5 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.48 2.787 . . . . 1.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 174.53 77.2 0.0 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.029 1.456 . . . . 1.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.239 0.547 0 O-C-N 124.956 1.41 . . . . 1.0 109.297 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.976 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER -138.72 -175.21 4.06 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.041 . . . . 1.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.573 ' CD2' ' CD1' ' A' ' 64' ' ' ILE . 5.5 m-85 -132.76 83.73 2.09 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.964 1.415 . . . . 1.0 109.312 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.571 ' CE2' ' CB ' ' A' ' 63' ' ' LYS . 9.2 m0 -80.72 135.44 36.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.99 1.431 . . . . 1.0 109.298 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.555 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 45.6 p -107.56 -150.34 0.45 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.994 1.433 . . . . 1.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.685 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -144.12 108.19 4.75 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.943 1.402 . . . . 1.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 1.4 p30 . . . . . 0 C--O 1.24 0.577 0 O-C-N 124.984 1.427 . . . . 1.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 1.5 m . . . . . 0 C--O 1.239 0.542 0 CA-C-O 118.377 -0.821 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.601 ' CG ' ' ND2' ' A' ' 54' ' ' ASN . 88.1 m-85 -58.36 -40.47 82.3 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.983 1.427 . . . . 1.0 109.298 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -54.12 -35.27 28.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.968 1.417 . . . . 1.0 109.279 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . -68.49 -36.65 79.23 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.986 1.429 . . . . 1.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.536 HD12 ' CE2' ' A' ' 37' ' ' PHE . 3.3 mm? -71.35 -44.24 65.43 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.033 1.458 . . . . 1.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' ALA . 40.5 mm -62.29 -51.49 71.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 124.993 1.433 . . . . 1.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -40.17 -42.18 1.42 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.951 1.407 . . . . 1.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 36' ' ' ARG . 7.8 ttp -80.01 -36.49 35.84 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.974 1.422 . . . . 1.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . . . -64.06 -59.14 4.83 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.035 1.459 . . . . 1.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.508 HD12 ' CD2' ' A' ' 24' ' ' LEU . 8.6 tp -53.84 -38.49 36.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.553 0 O-C-N 124.989 1.431 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.96 -39.75 93.21 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.035 1.459 . . . . 1.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -49.66 -25.18 2.66 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 1.0 109.251 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.449 ' OG ' HD13 ' A' ' 24' ' ' LEU . 30.2 m -115.21 83.4 10.09 Favored Pre-proline 0 C--O 1.24 0.592 0 O-C-N 124.961 1.413 . . . . 1.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.02 12.63 1.18 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.528 2.819 . . . . 1.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -109.34 -79.34 0.58 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.989 1.431 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 3.0 pttt 163.49 48.61 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.024 1.453 . . . . 1.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -143.3 107.88 4.84 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.001 1.438 . . . . 1.0 109.286 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.508 ' CD2' HD12 ' A' ' 16' ' ' ILE . 2.7 mm? -126.18 101.88 6.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.984 1.427 . . . . 1.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.954 HG22 ' O ' ' A' ' 75' ' ' ASN . 29.0 p -85.46 108.13 17.74 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.003 1.439 . . . . 1.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.504 HD12 ' CH2' ' A' ' 77' ' ' TRP . 7.4 tt -42.1 -33.12 0.54 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.02 1.45 . . . . 1.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 m -64.68 -44.45 90.3 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 1.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.26 -20.65 74.85 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.301 -1.519 . . . . 1.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 4.9 mm -63.18 -51.97 64.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.989 1.052 . . . . 1.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.7 t -64.88 -47.73 76.8 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.997 1.436 . . . . 1.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 2.2 pt-20 -65.21 -29.97 70.82 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.041 1.463 . . . . 1.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 15' ' ' ALA . 2.1 t80 -62.21 -50.03 73.39 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.982 1.427 . . . . 1.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 51' ' ' ILE . 1.3 mt -63.51 -16.69 18.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.989 1.43 . . . . 1.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -41.13 18.24 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.967 1.417 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.548 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -85.68 16.69 3.77 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.015 1.447 . . . . 1.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' CE ' ' A' ' 14' ' ' MET . 11.9 mmt-85 -141.35 -47.49 0.39 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.014 1.446 . . . . 1.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.536 ' CE2' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -129.64 74.09 81.03 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 124.97 1.419 . . . . 1.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -34.79 3.66 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.523 2.815 . . . . 1.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -55.1 -29.41 57.58 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.941 1.401 . . . . 1.0 109.272 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' PHE . 4.5 m-85 -79.45 -52.2 8.36 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.022 1.451 . . . . 1.0 109.341 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -53.86 -46.55 71.32 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.038 1.461 . . . . 1.0 109.309 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -29.59 69.86 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -43.79 13.37 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.44 . . . . 1.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.3 t80 -146.0 88.79 6.25 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.973 1.421 . . . . 1.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 11.56 1.4 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.492 2.795 . . . . 1.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -85.87 26.95 0.92 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.968 1.417 . . . . 1.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 96.8 m95 -68.19 -56.23 9.48 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.946 1.404 . . . . 1.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 3.4 tm0? -40.75 -28.16 0.07 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.963 1.415 . . . . 1.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -80.43 -49.36 11.54 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.991 1.432 . . . . 1.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.467 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 27.9 m -82.07 -64.48 1.17 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.966 1.416 . . . . 1.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.566 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.5 tp -39.78 -38.7 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.986 1.429 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 29.8 ttt-85 -60.05 -50.12 74.96 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.066 1.479 . . . . 1.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.455 ' C ' HD23 ' A' ' 57' ' ' LEU . 10.1 m-70 -70.66 -54.83 10.4 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.011 1.444 . . . . 1.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.601 ' ND2' ' CG ' ' A' ' 8' ' ' TYR . 62.3 m-80 -53.81 -44.89 70.58 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.969 1.418 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.698 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 10.6 tp -54.09 -52.65 60.3 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.969 1.418 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.4 p -68.65 -40.32 80.27 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.031 1.457 . . . . 1.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -88.39 25.47 1.66 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.031 1.457 . . . . 1.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.51 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 9.4 t-20 -106.45 -85.22 0.5 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.437 . . . . 1.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.573 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 75.5 m-20 -82.06 -26.75 33.42 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.991 1.432 . . . . 1.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 63.4 m 80.81 40.47 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.02 1.45 . . . . 1.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -77.26 -173.87 3.01 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.058 1.474 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 70.9 t -106.85 140.94 23.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.972 1.42 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.641 ' CB ' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -115.71 138.06 51.48 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.995 1.434 . . . . 1.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -76.01 123.36 88.11 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.953 1.408 . . . . 1.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 45.37 1.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.466 2.778 . . . . 1.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 58.21 70.78 0.62 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.985 1.428 . . . . 1.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.239 0.54 0 O-C-N 125.016 1.448 . . . . 1.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.954 ' O ' HG22 ' A' ' 25' ' ' THR . 58.8 m-80 -123.98 -172.0 2.44 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.027 1.075 . . . . 1.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.445 ' CD1' ' HG2' ' A' ' 23' ' ' LYS . 20.5 m-85 -127.77 75.4 1.6 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.956 1.41 . . . . 1.0 109.285 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.641 ' CE2' ' CB ' ' A' ' 63' ' ' LYS . 11.3 m0 -74.45 130.56 39.86 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.99 1.432 . . . . 1.0 109.302 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.577 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -140.47 150.32 43.64 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 1.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.503 ' CD1' HG12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -62.56 135.89 57.62 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.019 1.449 . . . . 1.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 54.7 p30 . . . . . 0 C--O 1.24 0.562 0 O-C-N 125.001 1.438 . . . . 1.0 109.317 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.503 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 1.9 p . . . . . 0 C--O 1.239 0.538 0 CA-C-O 118.429 -0.796 . . . . 1.0 109.231 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ3' ' A' ' 47' ' ' TRP . 20.0 m-85 -85.45 -79.29 0.24 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.994 1.434 . . . . 1.0 109.288 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.511 HG12 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -39.7 -45.83 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.954 1.409 . . . . 1.0 109.302 -179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -58.51 -46.2 87.22 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.99 1.431 . . . . 1.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 8' ' ' TYR . 11.7 mt -60.09 -40.65 90.34 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.048 1.468 . . . . 1.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.493 HD12 ' CD1' ' A' ' 55' ' ' LEU . 40.3 mm -72.15 -44.25 65.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 125.027 1.455 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -52.28 -42.5 63.77 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.945 1.403 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.481 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 4.9 ptm -81.9 -17.86 45.72 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.961 1.413 . . . . 1.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -81.66 -48.73 11.34 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 16' ' ' ILE . 4.8 mm -56.29 -54.51 26.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.944 1.403 . . . . 1.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 1.1 pp -56.58 -30.67 63.45 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.971 1.42 . . . . 1.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -55.54 -22.57 22.17 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.001 1.438 . . . . 1.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.8 p -117.72 82.72 16.73 Favored Pre-proline 0 C--O 1.239 0.546 0 O-C-N 124.984 1.427 . . . . 1.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 10.01 1.87 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.524 2.816 . . . . 1.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -96.47 -85.35 0.34 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.032 1.458 . . . . 1.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 0.7 OUTLIER 163.3 44.68 0.0 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.941 1.401 . . . . 1.0 109.352 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.69 111.58 6.4 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.436 . . . . 1.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 2.6 mm? -111.49 87.93 2.67 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.002 1.439 . . . . 1.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.985 HG23 ' O ' ' A' ' 75' ' ' ASN . 3.0 m -89.79 103.32 15.98 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.984 1.428 . . . . 1.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.428 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -43.06 -34.37 1.02 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.981 1.426 . . . . 1.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -53.47 -46.7 70.03 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.012 1.445 . . . . 1.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 32' ' ' PHE . . . -77.92 -17.74 78.05 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 40.8 mm -76.81 -52.24 17.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.975 1.044 . . . . 1.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.0 p -56.92 -45.19 82.85 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.004 1.44 . . . . 1.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.7 -23.8 59.85 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.991 1.432 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 8.6 t80 -72.64 -44.9 61.3 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.968 1.418 . . . . 1.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.411 HD13 ' CD2' ' A' ' 32' ' ' PHE . 35.3 mm -62.9 -48.69 86.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.001 1.438 . . . . 1.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -72.61 -18.87 61.55 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 125.015 1.447 . . . . 1.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.18 -39.33 82.18 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.032 1.458 . . . . 1.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -90.92 -39.34 12.33 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.994 1.433 . . . . 1.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.454 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -123.13 84.88 51.31 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.992 1.432 . . . . 1.0 109.358 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -28.07 9.58 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.51 2.807 . . . . 1.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -71.71 -31.83 67.14 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.933 1.396 . . . . 1.0 109.262 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -42.48 90.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.055 1.472 . . . . 1.0 109.326 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -64.45 -33.04 74.95 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.986 1.429 . . . . 1.0 109.257 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -33.05 74.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.961 1.413 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -84.04 -32.87 24.63 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 1.2 t80 -150.91 90.72 4.12 Favored Pre-proline 0 C--O 1.239 0.509 0 O-C-N 124.959 1.412 . . . . 1.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 8.63 2.34 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.488 2.792 . . . . 1.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.602 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . . . -83.62 19.7 1.57 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.996 1.435 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.486 ' CZ3' ' CZ ' ' A' ' 8' ' ' TYR . 58.1 m95 -75.88 -3.58 36.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.966 1.416 . . . . 1.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 10.4 tt0 -86.14 -46.89 10.0 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.026 1.454 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.439 ' HA ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -87.84 -40.09 14.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.002 1.439 . . . . 1.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.6 m -56.58 -67.51 0.3 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.964 1.415 . . . . 1.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -58.93 -24.34 26.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.957 1.411 . . . . 1.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HB2' ' HA ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -56.34 -43.18 78.8 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.969 1.418 . . . . 1.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.516 ' CE1' HD22 ' A' ' 57' ' ' LEU . 9.0 t60 -72.47 -51.15 21.41 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.037 1.461 . . . . 1.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.597 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 4.9 m120 -69.33 -7.1 34.15 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.961 1.413 . . . . 1.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.536 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 5.5 tp -85.58 -46.32 10.92 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.982 1.426 . . . . 1.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.602 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 40.1 t -79.82 -46.65 16.53 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.027 1.455 . . . . 1.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.597 ' CD2' ' HA ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -57.91 -23.17 52.19 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.421 . . . . 1.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 28.2 t-20 -76.3 -67.21 0.71 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.02 1.45 . . . . 1.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.8 OUTLIER -81.34 -57.27 3.56 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.977 1.423 . . . . 1.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 99.87 25.07 0.0 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.435 . . . . 1.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -68.14 178.15 1.98 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.98 1.425 . . . . 1.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.689 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 4.9 m -100.82 137.96 26.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.95 1.407 . . . . 1.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.616 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -118.04 125.24 49.96 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.051 1.469 . . . . 1.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 64' ' ' ILE . 21.9 pt -77.76 117.29 64.81 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.998 1.436 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 62.11 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.561 2.841 . . . . 1.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 0.6 OUTLIER 64.75 75.43 0.37 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.005 1.441 . . . . 1.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.578 0 O-C-N 124.957 1.411 . . . . 1.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.985 ' O ' HG23 ' A' ' 25' ' ' THR . 39.7 m-80 -116.86 -171.07 1.95 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.055 1.091 . . . . 1.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 10.8 m-85 -145.0 118.48 9.07 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.015 1.447 . . . . 1.0 109.254 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.689 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.8 m0 -104.16 134.82 46.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.977 1.423 . . . . 1.0 109.279 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.61 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 6.3 p -124.42 146.6 48.8 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.983 1.427 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.411 ' CD2' ' OD1' ' A' ' 59' ' ' ASP . 6.7 mp -65.23 139.98 58.69 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.958 1.411 . . . . 1.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.513 ' OD1' ' CG1' ' A' ' 62' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.573 0 O-C-N 124.978 1.424 . . . . 1.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.566 0 CA-C-O 118.389 -0.815 . . . . 1.0 109.34 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.421 ' OH ' ' O ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -83.16 -74.78 0.35 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.022 1.452 . . . . 1.0 109.297 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.46 HD11 ' CB ' ' A' ' 58' ' ' ASN . 1.5 tp -59.94 -30.18 44.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.989 1.43 . . . . 1.0 109.295 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.22 -33.62 58.73 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.002 1.439 . . . . 1.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -80.84 -31.44 35.48 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.933 1.396 . . . . 1.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -62.43 -56.51 17.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 124.965 1.416 . . . . 1.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.9 p -43.22 -37.11 2.0 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.7 mtm -65.09 -41.81 94.65 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.04 1.462 . . . . 1.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.626 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -55.75 -30.35 61.08 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.424 . . . . 1.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.495 HD11 ' CE2' ' A' ' 61' ' ' PHE . 30.8 mm -80.2 -43.17 22.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.959 1.412 . . . . 1.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.94 -42.82 72.77 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.979 1.424 . . . . 1.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -50.94 -23.51 2.93 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.917 1.385 . . . . 1.0 109.233 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 m -113.56 89.33 15.17 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.973 1.421 . . . . 1.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 2.04 7.09 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.526 2.817 . . . . 1.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 47.0 tt0 -110.21 -80.14 0.58 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.0 1.438 . . . . 1.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 166.36 48.44 0.0 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.977 1.423 . . . . 1.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -134.55 93.91 3.12 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.012 1.445 . . . . 1.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 3.8 mm? -110.24 117.77 34.56 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.046 1.466 . . . . 1.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 75' ' ' ASN . 33.8 p -104.5 107.37 18.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.966 1.416 . . . . 1.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD12 ' CH2' ' A' ' 77' ' ' TRP . 10.4 tt -45.26 -36.58 4.08 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.018 1.449 . . . . 1.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 p -62.59 -45.34 93.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.051 1.469 . . . . 1.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.91 -35.26 54.56 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.326 -1.51 . . . . 1.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.79 -48.05 81.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 125.01 1.065 . . . . 1.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 t -55.98 -53.08 61.26 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.976 1.422 . . . . 1.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -65.61 -33.14 75.2 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.984 1.428 . . . . 1.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.626 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 2.0 t80 -61.05 -41.83 97.33 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.968 1.417 . . . . 1.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.625 HD13 ' CD2' ' A' ' 32' ' ' PHE . 5.8 mm -69.01 -39.04 79.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.431 . . . . 1.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -74.94 -21.3 59.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.959 1.412 . . . . 1.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.84 -47.35 75.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.049 1.468 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -80.88 -37.88 29.02 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.067 1.479 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.85 86.2 30.12 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.95 1.406 . . . . 1.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.37 1.24 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.489 2.793 . . . . 1.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.463 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 8.9 m-85 -70.18 -27.73 64.75 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.017 1.448 . . . . 1.0 109.334 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CD1' ' HZ2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -64.73 -48.82 73.2 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.98 1.425 . . . . 1.0 109.319 -179.38 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -64.93 -46.04 83.32 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 -179.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -58.12 -24.1 57.47 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.965 1.416 . . . . 1.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -96.73 -32.36 12.2 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.032 1.458 . . . . 1.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.658 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.5 t80 -152.04 85.58 4.66 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 124.996 1.435 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HB3' ' HG3' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.01 11.39 1.45 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.516 2.811 . . . . 1.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -84.97 27.28 0.78 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.958 1.411 . . . . 1.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 96.2 m95 -81.51 24.64 0.56 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.001 1.438 . . . . 1.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.49 -78.78 0.18 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.011 1.444 . . . . 1.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' ARG . 27.3 t-20 -82.94 -32.49 27.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.006 1.441 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 5.7 p -41.9 -26.6 0.09 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.984 1.427 . . . . 1.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -107.07 -27.24 3.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.02 1.45 . . . . 1.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.463 ' N ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -59.76 -23.97 63.68 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.995 1.435 . . . . 1.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.522 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -73.07 -56.8 4.62 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.978 1.424 . . . . 1.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.45 -28.11 60.89 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.426 . . . . 1.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.613 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 32.2 tp -58.28 -59.8 4.77 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.004 1.44 . . . . 1.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -69.86 -27.67 65.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.997 1.435 . . . . 1.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.522 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 1.2 tt -90.75 17.7 7.35 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 12.1 t30 -103.37 -89.8 0.38 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.029 1.455 . . . . 1.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.569 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 24.8 m-20 -83.18 -3.9 57.84 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.008 1.442 . . . . 1.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.577 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 13.5 p 52.0 65.78 1.4 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -95.09 178.39 5.56 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.972 1.42 . . . . 1.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -101.0 112.08 32.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.998 1.436 . . . . 1.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.677 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -85.13 146.76 26.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.983 1.427 . . . . 1.0 109.276 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 1.1 pp -115.67 82.79 10.56 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.972 1.42 . . . . 1.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 5.42 4.0 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.511 2.807 . . . . 1.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.21 91.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.993 1.433 . . . . 1.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.449 ' HB2' HD13 ' A' ' 64' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.57 0 O-C-N 124.95 1.406 . . . . 1.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 109.354 -1.498 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.813 ' O ' HG22 ' A' ' 25' ' ' THR . 32.1 m-20 -128.8 -172.02 2.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.067 1.098 . . . . 1.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 16.7 m-85 -146.45 101.12 3.44 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.037 1.461 . . . . 1.0 109.303 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.677 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 5.2 m0 -98.55 130.57 45.12 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.037 1.461 . . . . 1.0 109.285 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 43.1 p -118.44 142.18 47.81 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.978 1.424 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.405 ' HG ' ' HB3' ' A' ' 59' ' ' ASP . 7.3 mp -66.33 132.66 48.86 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.019 1.45 . . . . 1.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--O 1.24 0.581 0 O-C-N 124.989 1.431 . . . . 1.0 109.269 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.449 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.565 0 CA-C-O 118.43 -0.795 . . . . 1.0 109.293 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -60.83 2.16 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.952 1.407 . . . . 1.0 109.267 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.862 ' O ' HG23 ' A' ' 13' ' ' THR . 2.4 pp -54.67 -44.98 72.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.018 1.449 . . . . 1.0 109.292 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB3' ' CB ' ' A' ' 7' ' ' SER . . . -60.67 -24.13 65.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.005 1.441 . . . . 1.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.517 ' CD1' ' NH2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -77.63 -53.2 7.85 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.004 1.44 . . . . 1.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.459 HG21 ' CB ' ' A' ' 58' ' ' ASN . 1.6 mp -58.0 -47.73 85.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.029 1.456 . . . . 1.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.862 HG23 ' O ' ' A' ' 9' ' ' ILE . 28.5 p -43.87 -34.82 1.74 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.948 1.405 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.514 ' HE2' ' NH2' ' A' ' 36' ' ' ARG . 3.0 ttp -83.22 -35.8 25.12 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.019 1.449 . . . . 1.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.614 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -55.55 -49.06 73.69 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.018 1.449 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -56.32 -42.72 74.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 1.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 13' ' ' THR . 53.1 mt -48.78 -40.27 28.33 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.029 1.456 . . . . 1.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.614 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 9.6 mm100 -45.08 -24.35 0.23 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.002 1.439 . . . . 1.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.534 ' CB ' ' HG ' ' A' ' 24' ' ' LEU . 77.3 p -111.52 90.56 12.54 Favored Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.006 1.441 . . . . 1.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 15.29 0.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.541 2.827 . . . . 1.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -130.7 -85.96 0.51 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.007 1.442 . . . . 1.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.711 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER 177.34 40.8 0.0 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.985 1.428 . . . . 1.0 109.278 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -141.51 106.75 5.0 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.046 1.466 . . . . 1.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HG ' ' CB ' ' A' ' 19' ' ' SER . 13.0 mt -120.57 125.03 46.77 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.009 1.443 . . . . 1.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.939 HG22 ' O ' ' A' ' 75' ' ' ASN . 18.3 p -102.8 114.07 28.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.429 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -42.73 -34.62 0.94 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.056 1.472 . . . . 1.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -66.72 -41.56 87.74 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.002 1.438 . . . . 1.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.19 -22.3 68.47 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.22 -52.28 15.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.946 1.027 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.82 -35.73 79.08 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.028 1.455 . . . . 1.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -38.38 81.78 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.975 1.422 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.485 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.92 -54.92 40.43 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.992 1.432 . . . . 1.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.485 HG13 ' CD2' ' A' ' 32' ' ' PHE . 14.1 mt -60.03 -57.96 9.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 125.021 1.451 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -53.79 -23.41 11.97 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.925 1.39 . . . . 1.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 32' ' ' PHE . 2.8 t-20 -59.38 -42.49 91.81 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.016 1.447 . . . . 1.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.517 ' NH2' ' CD1' ' A' ' 11' ' ' LEU . 1.2 ptt180 -123.23 37.01 4.51 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.014 1.446 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.495 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 5.7 m-85 -136.03 62.69 47.41 Favored Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -75.04 -65.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.454 2.769 . . . . 1.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -67.05 -17.91 65.11 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.982 1.426 . . . . 1.0 109.316 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -48.94 13.92 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.432 . . . . 1.0 109.318 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -38.01 84.01 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.933 1.396 . . . . 1.0 109.281 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.08 -43.38 92.38 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.929 1.393 . . . . 1.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -53.73 11.02 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.029 1.456 . . . . 1.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.56 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.0 t80 -131.71 93.11 28.92 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.984 1.427 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 2.53 6.52 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.534 2.822 . . . . 1.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.506 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -85.43 25.52 1.02 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.987 1.43 . . . . 1.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 52.8 m95 -69.45 -30.27 68.14 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.039 1.462 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -70.39 -47.75 59.39 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.983 1.427 . . . . 1.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -76.37 -53.46 8.14 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.962 1.414 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 83.0 p -47.88 -52.03 20.84 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.993 1.433 . . . . 1.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.544 ' CG1' ' O ' ' A' ' 47' ' ' TRP . 13.4 mm -66.5 -40.58 86.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 125.002 1.439 . . . . 1.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HD2' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -47.67 -39.6 17.73 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.026 1.454 . . . . 1.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -81.63 -56.95 3.68 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.029 1.456 . . . . 1.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.528 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -53.08 -41.83 65.29 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.024 1.453 . . . . 1.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.58 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 18.7 tp -53.19 -49.68 66.22 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.969 1.418 . . . . 1.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.3 t -82.59 -20.26 36.83 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.917 1.386 . . . . 1.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.0 tp -84.59 -5.55 59.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.951 1.407 . . . . 1.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.459 ' CB ' HG21 ' A' ' 12' ' ' ILE . 1.7 t-20 -96.94 -73.7 0.59 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.027 1.454 . . . . 1.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.578 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 2.9 m-20 -84.04 -39.72 19.26 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.012 1.445 . . . . 1.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 56' ' ' SER . 1.2 m 77.83 36.47 0.25 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.13 -175.91 0.37 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.002 1.439 . . . . 1.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.55 ' CG2' ' OG1' ' A' ' 78' ' ' THR . 11.7 m -105.51 121.57 57.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.977 1.423 . . . . 1.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.607 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 4.6 pttp -104.67 143.01 33.67 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.663 HD11 ' CD1' ' A' ' 76' ' ' TYR . 4.3 pt -104.14 104.78 45.77 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.0 1.438 . . . . 1.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.541 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.03 3.75 5.36 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.5 2.8 . . . . 1.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 52.6 ttt180 169.28 90.24 0.0 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.002 1.439 . . . . 1.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.569 0 O-C-N 124.952 1.408 . . . . 1.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.939 ' O ' HG22 ' A' ' 25' ' ' THR . 81.1 m-20 -155.18 178.07 10.62 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.045 1.085 . . . . 1.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.663 ' CD1' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -129.24 77.3 1.78 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.024 1.453 . . . . 1.0 109.301 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.607 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 8.0 m0 -73.33 126.52 30.31 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.026 1.454 . . . . 1.0 109.302 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 22' ' ' LYS . 73.0 p -121.4 139.21 53.74 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.49 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.19 132.16 46.68 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 t0 . . . . . 0 C--O 1.239 0.549 0 O-C-N 125.031 1.457 . . . . 1.0 109.274 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.511 ' HB2' ' CD1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.534 0 CA-C-O 118.431 -0.795 . . . . 1.0 109.267 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -56.6 -27.66 58.65 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.971 1.42 . . . . 1.0 109.318 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 7' ' ' SER . 0.1 OUTLIER -79.22 4.0 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.993 1.433 . . . . 1.0 109.317 -179.521 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.8 -39.58 2.95 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.979 1.424 . . . . 1.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.546 HD12 ' CE2' ' A' ' 37' ' ' PHE . 3.3 mm? -69.97 -49.15 54.6 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.961 1.413 . . . . 1.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.3 mm -69.17 -41.14 81.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.974 1.421 . . . . 1.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -48.67 -36.2 15.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.955 1.409 . . . . 1.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.469 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -83.35 -28.49 28.94 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.941 1.401 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.551 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -77.81 -40.7 39.7 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.017 1.448 . . . . 1.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.512 HD11 ' CE2' ' A' ' 61' ' ' PHE . 4.4 tp -61.93 -49.02 85.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.039 1.462 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 1.5 pp -63.65 -30.77 71.83 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.951 1.407 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.87 -23.45 2.82 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.018 1.449 . . . . 1.0 109.35 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.566 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 3.0 p -117.31 77.82 10.19 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 31.97 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.583 2.855 . . . . 1.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -126.03 -89.01 0.57 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.985 1.428 . . . . 1.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 173.37 40.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.048 1.468 . . . . 1.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -143.12 90.87 2.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.986 1.429 . . . . 1.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.566 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -102.64 103.41 13.69 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.035 1.459 . . . . 1.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.858 HG22 ' O ' ' A' ' 75' ' ' ASN . 82.1 p -89.25 106.78 18.67 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.95 1.406 . . . . 1.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -50.24 -40.57 48.08 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.0 1.437 . . . . 1.0 109.235 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -43.63 98.42 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.97 1.419 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.63 -36.14 54.26 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.98 -47.6 76.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.051 . . . . 1.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' SG ' ' HG3' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -62.23 -41.07 98.08 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.042 1.464 . . . . 1.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.27 -27.13 67.7 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.356 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.488 ' CE2' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -81.61 -41.59 21.28 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.487 HG13 ' CE1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -73.28 -36.8 50.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.965 1.415 . . . . 1.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.3 p -71.06 -20.33 62.38 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.979 1.424 . . . . 1.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -79.8 -56.91 3.94 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.982 1.426 . . . . 1.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 1.7 ptp180 -74.39 -39.27 62.8 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.975 1.422 . . . . 1.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 1.8 m-85 -118.59 72.81 10.82 Favored Pre-proline 0 C--O 1.241 0.617 0 O-C-N 124.977 1.423 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HD3' ' C ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -74.98 -40.08 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.541 2.827 . . . . 1.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 25.9 t80 -62.51 -18.18 61.35 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.005 1.441 . . . . 1.0 109.313 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.703 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -81.15 -44.34 18.03 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.006 1.441 . . . . 1.0 109.325 -179.36 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -43.2 20.88 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.0 1.437 . . . . 1.0 109.285 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.43 -12.18 55.81 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.419 . . . . 1.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -113.32 -37.83 4.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.449 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.858 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 1.1 t80 -132.84 66.85 77.25 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.961 1.413 . . . . 1.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -75.02 -13.91 21.23 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.51 2.806 . . . . 1.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.95 -5.98 58.75 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.425 . . . . 1.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.858 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -84.46 10.39 10.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.956 1.41 . . . . 1.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' O ' HD13 ' A' ' 51' ' ' ILE . 43.6 tt0 -52.03 -50.87 60.58 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.07 -24.68 32.62 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 14.9 t -52.47 -44.84 65.82 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.043 1.464 . . . . 1.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.481 HG12 ' N ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -82.48 -30.66 9.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.025 1.453 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.481 ' N ' HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.22 -46.08 68.95 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 1.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.414 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -57.77 -57.21 13.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.013 1.445 . . . . 1.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -62.21 -28.39 69.65 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.011 1.445 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.592 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -59.38 -53.68 55.38 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.986 1.429 . . . . 1.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -77.88 -29.18 50.13 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.987 1.429 . . . . 1.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -84.38 18.61 2.16 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.994 1.434 . . . . 1.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 8.1 t-20 -105.14 -86.17 0.47 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.99 1.431 . . . . 1.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.66 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -83.71 -35.89 24.12 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.007 1.442 . . . . 1.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.66 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 75.8 m 89.48 43.63 0.01 OUTLIER 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.044 1.465 . . . . 1.0 109.336 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.635 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.01 -168.15 0.13 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.963 1.414 . . . . 1.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -119.14 115.16 46.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 125.062 1.476 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HE3' ' CH2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -107.03 129.35 54.82 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.96 1.413 . . . . 1.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.03 113.14 41.07 Favored Pre-proline 0 C--O 1.239 0.535 0 O-C-N 124.989 1.43 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 2.81 6.19 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.542 2.828 . . . . 1.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.69 71.37 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 1.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.24 0.559 0 O-C-N 125.053 1.471 . . . . 1.0 109.327 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.858 ' O ' HG22 ' A' ' 25' ' ' THR . 4.2 m-80 -133.64 -159.67 0.98 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.004 1.061 . . . . 1.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 7.8 m-85 -146.15 85.07 1.66 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.998 1.436 . . . . 1.0 109.297 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.53 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 10.4 m0 -78.64 133.5 37.24 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.982 1.426 . . . . 1.0 109.302 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 5.1 p -120.44 132.83 55.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.022 1.451 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.57 123.15 20.06 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.985 1.428 . . . . 1.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 4.2 p-10 . . . . . 0 C--O 1.24 0.566 0 O-C-N 125.008 1.443 . . . . 1.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 1.3 m . . . . . 0 C--O 1.24 0.571 0 CA-C-O 118.404 -0.808 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' LEU . 2.9 m-85 -77.16 -68.37 0.62 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.976 1.423 . . . . 1.0 109.274 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.941 ' O ' HG23 ' A' ' 13' ' ' THR . 0.2 OUTLIER -46.97 -36.62 3.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 125.029 1.456 . . . . 1.0 109.298 -179.539 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 7' ' ' SER . . . -69.46 -32.46 71.4 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.483 HD12 ' CG1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -71.04 -50.93 28.69 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.971 1.42 . . . . 1.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG13 ' CD2' ' A' ' 55' ' ' LEU . 1.5 mp -58.76 -53.59 45.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.996 1.435 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.941 HG23 ' O ' ' A' ' 9' ' ' ILE . 20.5 p -42.56 -36.79 1.47 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.994 1.434 . . . . 1.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -80.71 -38.46 28.83 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.015 1.447 . . . . 1.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -62.41 -46.03 90.43 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.012 1.445 . . . . 1.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.418 ' CD1' ' HG ' ' A' ' 24' ' ' LEU . 22.5 mm -65.19 -44.96 95.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.974 1.421 . . . . 1.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -43.53 94.03 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.012 1.445 . . . . 1.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -50.75 -22.07 1.94 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.017 1.448 . . . . 1.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 1.9 p -118.22 76.97 12.59 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 124.995 1.435 . . . . 1.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.01 32.54 0.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.497 2.798 . . . . 1.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.496 ' O ' ' CE ' ' A' ' 22' ' ' LYS . 44.5 tp60 -122.86 -85.93 0.65 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.996 1.435 . . . . 1.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.811 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER 170.84 42.41 0.0 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.98 1.425 . . . . 1.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' C ' HD22 ' A' ' 24' ' ' LEU . 13.1 mttp -141.25 108.51 5.51 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 29' ' ' ILE . 4.3 mm? -120.32 64.62 0.83 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.976 1.423 . . . . 1.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -66.93 121.41 15.44 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.012 1.445 . . . . 1.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -31.94 39.23 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.973 1.421 . . . . 1.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -41.97 84.11 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.988 1.43 . . . . 1.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -80.77 -44.6 8.28 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.455 HD11 ' CD1' ' A' ' 24' ' ' LEU . 1.5 mp -56.25 -49.79 74.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.988 1.052 . . . . 1.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.4 t -59.13 -57.17 14.22 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.002 1.439 . . . . 1.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -62.24 -21.95 65.58 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.981 1.426 . . . . 1.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -73.05 -47.13 47.42 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.432 . . . . 1.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.483 ' CG1' HD12 ' A' ' 11' ' ' LEU . 2.1 mt -66.93 -50.68 62.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.012 1.445 . . . . 1.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.1 p -65.37 -17.56 64.62 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.002 1.439 . . . . 1.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -69.09 -45.62 69.81 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.351 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 20.4 mmm-85 -80.03 -33.81 38.86 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.013 1.446 . . . . 1.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -122.87 83.93 49.96 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 125.001 1.438 . . . . 1.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.46 7.14 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.481 2.787 . . . . 1.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -28.84 63.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.018 1.449 . . . . 1.0 109.284 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -55.23 18.19 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.992 1.432 . . . . 1.0 109.298 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -38.08 47.41 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.972 1.42 . . . . 1.0 109.3 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.23 -37.81 78.19 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.938 1.399 . . . . 1.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -54.52 6.85 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.983 1.427 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.544 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.7 t80 -131.39 92.97 30.54 Favored Pre-proline 0 C--O 1.239 0.533 0 O-C-N 125.013 1.446 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 4.92 4.27 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.533 2.822 . . . . 1.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -84.84 23.1 1.23 Allowed 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.016 1.448 . . . . 1.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.544 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 61.6 m95 -69.06 -41.48 77.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.018 1.449 . . . . 1.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 1.5 tt0 -58.41 -43.11 88.47 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.014 1.446 . . . . 1.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -67.47 -56.59 8.95 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -58.17 -47.92 81.89 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.513 ' HA ' ' OD1' ' A' ' 54' ' ' ASN . 73.6 mt -61.97 -61.84 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.963 1.414 . . . . 1.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -42.79 -23.99 0.05 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.569 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 3.2 t60 -80.49 -58.4 3.14 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.984 1.428 . . . . 1.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.513 ' OD1' ' HA ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -71.66 -32.46 67.92 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.053 1.471 . . . . 1.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.615 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -56.61 -57.39 12.6 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.996 1.435 . . . . 1.0 109.316 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.15 -32.71 59.24 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.978 1.423 . . . . 1.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 tp -85.19 23.57 1.25 Allowed 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 5.1 t30 -107.54 -85.1 0.52 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.027 1.454 . . . . 1.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.728 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 21.8 m-20 -81.19 -30.0 34.44 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.94 1.4 . . . . 1.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.728 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 9.9 m 86.01 28.74 0.05 OUTLIER 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.045 1.466 . . . . 1.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.68 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -67.33 -178.07 0.79 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.023 1.452 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 10.5 m -112.35 139.23 38.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.016 1.448 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 1.1 pttp -112.46 172.54 6.86 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.001 1.438 . . . . 1.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.421 ' HB ' ' OE2' ' A' ' 67' ' ' GLU . 95.7 mt -109.03 97.16 23.45 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.993 1.433 . . . . 1.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -74.98 10.59 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.563 2.842 . . . . 1.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.51 86.15 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.017 1.448 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.58 ' OE1' ' CE2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.58 0 O-C-N 124.953 1.408 . . . . 1.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.42 ' C ' ' OD1' ' A' ' 75' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.1 m-20 -138.65 92.78 2.65 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.058 . . . . 1.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' OE1' ' A' ' 67' ' ' GLU . 16.9 m-85 -89.12 134.21 34.1 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.016 1.448 . . . . 1.0 109.329 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.638 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.1 m0 -106.64 135.35 48.32 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.952 1.407 . . . . 1.0 109.298 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 22' ' ' LYS . 15.0 p -121.87 139.02 54.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.035 1.459 . . . . 1.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.68 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -71.62 127.13 31.57 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.011 1.444 . . . . 1.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--O 1.239 0.549 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.586 0 CA-C-O 118.382 -0.818 . . . . 1.0 109.281 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.716 ' CZ ' ' CZ3' ' A' ' 47' ' ' TRP . 0.6 OUTLIER -80.44 -72.64 0.4 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.311 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.541 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 1.2 mp -54.61 -32.04 24.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.987 1.43 . . . . 1.0 109.313 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -39.81 75.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.968 1.417 . . . . 1.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.531 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -81.49 -37.69 27.52 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.004 1.44 . . . . 1.0 109.307 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.541 ' HB ' ' HA ' ' A' ' 9' ' ' ILE . 1.3 mp -46.84 -37.69 3.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.979 1.424 . . . . 1.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -43.82 -43.12 6.03 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.025 1.453 . . . . 1.0 109.292 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 mtm -81.54 -39.21 25.0 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.954 1.409 . . . . 1.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.502 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -46.81 -32.31 3.61 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.616 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 1.3 tp -77.52 -43.55 30.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 125.023 1.452 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.86 -32.9 15.47 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.991 1.432 . . . . 1.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 1.5 mp0 -51.12 -22.75 2.68 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.994 1.434 . . . . 1.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.429 ' OG ' ' HG ' ' A' ' 24' ' ' LEU . 77.3 p -114.28 85.33 10.42 Favored Pre-proline 0 C--O 1.239 0.552 0 O-C-N 125.017 1.448 . . . . 1.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.0 12.45 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.485 2.79 . . . . 1.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.53 -83.89 0.48 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.043 1.464 . . . . 1.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.48 40.74 0.0 OUTLIER 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.006 1.441 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' CG ' ' HB2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -139.15 99.69 3.82 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.042 1.464 . . . . 1.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.44 ' CD1' HD12 ' A' ' 16' ' ' ILE . 27.0 mt -105.05 103.5 13.06 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.028 1.455 . . . . 1.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.903 HG23 ' O ' ' A' ' 75' ' ' ASN . 15.9 m -89.59 102.96 15.64 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.986 1.428 . . . . 1.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -41.12 -37.85 0.95 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.984 1.427 . . . . 1.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.3 m -56.76 -44.91 82.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.992 1.432 . . . . 1.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.05 -27.65 52.27 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.262 -1.535 . . . . 1.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.426 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 21.7 mm -58.2 -54.68 29.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.957 1.034 . . . . 1.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.96 -40.49 75.39 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.973 1.42 . . . . 1.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -55.72 -38.33 69.6 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.012 1.445 . . . . 1.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.529 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.16 -42.39 62.84 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.023 1.452 . . . . 1.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.544 HG23 ' CD1' ' A' ' 37' ' ' PHE . 86.9 mt -67.53 -53.82 28.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.003 1.44 . . . . 1.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.2 t -46.59 -26.46 0.9 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.057 1.473 . . . . 1.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.61 -46.87 74.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.99 1.431 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -100.22 9.72 42.34 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.985 1.428 . . . . 1.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' CD2' ' A' ' 40' ' ' TYR . 12.0 m-85 -137.31 64.15 45.21 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 125.018 1.449 . . . . 1.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -75.05 -52.34 0.11 Allowed 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.485 2.79 . . . . 1.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 39' ' ' TYR . 18.6 t80 -80.56 -9.02 59.79 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.987 1.43 . . . . 1.0 109.357 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -80.01 -39.03 30.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.052 1.47 . . . . 1.0 109.336 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -72.51 -55.33 7.14 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.004 1.44 . . . . 1.0 109.299 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.27 -33.44 3.72 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.038 1.461 . . . . 1.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -52.37 5.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.999 1.437 . . . . 1.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 7.6 t80 -131.77 87.81 44.2 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 124.944 1.402 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 5.32 4.06 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.489 2.793 . . . . 1.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -84.62 26.35 0.82 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.015 1.447 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.716 ' CZ3' ' CZ ' ' A' ' 8' ' ' TYR . 67.4 m95 -68.94 -42.65 76.43 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.018 1.449 . . . . 1.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 2.5 mt-30 -56.25 -43.79 79.04 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.007 1.442 . . . . 1.0 109.335 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -80.62 -43.44 20.52 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.018 1.449 . . . . 1.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 19.8 m -63.84 -65.43 0.68 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.07 1.481 . . . . 1.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.696 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -52.18 -43.59 38.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.998 1.436 . . . . 1.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -43.94 -38.12 3.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.999 1.437 . . . . 1.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -81.58 -56.24 4.14 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.956 1.41 . . . . 1.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 4.2 m120 -59.07 -27.6 65.68 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.975 1.422 . . . . 1.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.696 ' N ' ' O ' ' A' ' 51' ' ' ILE . 16.8 tp -64.72 -53.46 46.97 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.018 1.449 . . . . 1.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -80.68 -5.6 57.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.022 1.451 . . . . 1.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -83.07 -2.96 56.71 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 1.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -97.48 -82.27 0.42 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.977 1.423 . . . . 1.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -87.13 -34.64 19.01 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.995 1.434 . . . . 1.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 78.79 73.52 0.05 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.032 1.458 . . . . 1.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.665 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -86.58 -168.95 2.42 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.983 1.427 . . . . 1.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.445 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 6.4 m -114.53 103.62 15.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 124.986 1.429 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.504 ' C ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -79.99 143.84 33.78 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.992 1.433 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.678 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -129.65 60.81 54.01 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.008 1.443 . . . . 1.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 40.1 0.64 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.496 2.798 . . . . 1.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 1.9 tpm_? 173.36 90.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.041 1.463 . . . . 1.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CB ' HD11 ' A' ' 64' ' ' ILE . 19.9 tp10 . . . . . 0 C--O 1.239 0.534 0 O-C-N 124.979 1.425 . . . . 1.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.903 ' O ' HG23 ' A' ' 25' ' ' THR . 0.5 OUTLIER -137.17 -157.83 0.81 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.997 1.057 . . . . 1.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.453 ' HB2' ' CG ' ' A' ' 23' ' ' LYS . 1.9 p90 -172.25 125.55 0.53 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.95 1.406 . . . . 1.0 109.272 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.563 ' N ' ' CD1' ' A' ' 77' ' ' TRP . 1.9 m0 -94.52 151.6 19.22 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.448 . . . . 1.0 109.331 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.508 ' C ' ' HB3' ' A' ' 61' ' ' PHE . 91.3 m -122.3 133.79 54.67 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.967 1.417 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 128.25 35.34 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.005 1.441 . . . . 1.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.586 0 O-C-N 124.982 1.426 . . . . 1.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' O ' ' HB ' ' A' ' 2' ' ' VAL . 8.6 mtt . . . . . 0 C--O 1.24 0.581 0 CA-C-O 118.385 -0.817 . . . . 1.0 109.318 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' A' ' 3' ' ' LYS . 19.0 t 85.98 -27.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.424 . . . . 1.0 109.267 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 26.16 60.59 0.5 Allowed Pre-proline 0 C--O 1.239 0.532 0 O-C-N 125.01 1.444 . . . . 1.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.03 153.43 41.63 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.507 2.805 . . . . 1.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.4 Cg_endo -74.93 142.89 28.63 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.541 2.827 . . . . 1.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.466 ' CZ ' ' OH ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -95.25 92.2 6.65 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.988 1.43 . . . . 1.0 109.327 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.477 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 2.6 p -142.37 117.22 9.89 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.046 1.466 . . . . 1.0 109.278 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.3 m-85 -81.53 -69.11 0.64 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.98 1.425 . . . . 1.0 109.324 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.514 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -38.62 -43.15 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.999 1.437 . . . . 1.0 109.317 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 7' ' ' SER . . . -68.44 -40.44 81.13 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.03 1.456 . . . . 1.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -55.17 -31.15 61.14 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.996 1.435 . . . . 1.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' ALA . 13.9 mm -82.14 -47.57 19.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.961 1.413 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.432 ' C ' HG22 ' A' ' 16' ' ' ILE . 1.6 m -44.98 -38.02 4.43 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.942 1.401 . . . . 1.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.444 ' HE2' ' O ' ' A' ' 11' ' ' LEU . 4.1 ptt? -83.24 -26.87 30.35 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.962 1.414 . . . . 1.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -77.02 -23.64 52.17 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.985 1.428 . . . . 1.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.622 HD11 ' CD1' ' A' ' 79' ' ' LEU . 4.8 tp -82.22 -49.8 16.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.984 1.428 . . . . 1.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -52.72 -27.27 16.88 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.968 1.417 . . . . 1.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.405 ' OE1' ' HB2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -41.5 -33.74 0.47 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.06 1.475 . . . . 1.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 8.6 p -102.15 111.99 64.93 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 124.985 1.428 . . . . 1.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.86 8.41 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.548 2.832 . . . . 1.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.41 -84.77 0.66 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.997 1.436 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 42.68 0.0 OUTLIER 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.961 1.413 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' HD22 ' A' ' 24' ' ' LEU . 6.9 mtmm -140.71 114.45 8.9 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.01 1.443 . . . . 1.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 4.2 mm? -116.02 130.63 56.9 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 75' ' ' ASN . 69.3 p -106.84 104.51 14.21 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.04 1.463 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.32 -34.22 1.17 Allowed 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.013 1.446 . . . . 1.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 t -66.61 -41.67 88.03 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.031 1.457 . . . . 1.0 109.264 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.15 -16.97 80.15 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.333 -1.507 . . . . 1.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.426 ' O ' HG12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -79.32 -52.79 14.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 124.993 1.055 . . . . 1.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.2 p -51.78 -45.19 63.72 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.966 1.416 . . . . 1.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -70.75 -29.09 65.23 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 125.049 1.468 . . . . 1.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -70.8 -34.62 71.93 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.985 1.428 . . . . 1.0 109.3 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 46.8 mm -64.56 -61.21 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.976 1.422 . . . . 1.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -50.67 -22.48 2.08 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.452 . . . . 1.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.29 -32.8 70.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.053 1.471 . . . . 1.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.86 14.5 3.62 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.986 1.429 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 11' ' ' LEU . 5.0 m-85 -140.49 61.09 15.32 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 124.98 1.425 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 18.4 Cg_endo -74.95 -53.57 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.522 2.814 . . . . 1.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -71.43 -19.38 62.25 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.017 1.448 . . . . 1.0 109.306 -179.765 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.72 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 0.5 OUTLIER -80.85 -53.15 6.72 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.984 1.428 . . . . 1.0 109.277 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -41.21 67.67 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 17.4 tp10 -66.59 -11.64 54.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.008 1.443 . . . . 1.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -111.15 -36.73 5.53 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.021 1.451 . . . . 1.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.813 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -132.84 64.9 72.87 Favored Pre-proline 0 C--O 1.24 0.584 0 O-C-N 125.022 1.452 . . . . 1.0 109.242 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.99 -10.62 21.31 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.566 2.844 . . . . 1.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.1 -18.76 45.39 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.971 1.42 . . . . 1.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.813 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -77.15 -2.99 37.19 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.989 1.43 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -48.56 -40.57 27.63 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.425 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -81.71 -38.09 26.32 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.001 1.438 . . . . 1.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.41 ' OG ' ' OH ' ' A' ' 8' ' ' TYR . 53.5 p -48.02 -44.81 31.3 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.952 1.408 . . . . 1.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 47' ' ' TRP . 90.8 mt -64.89 -41.87 93.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 125.03 1.456 . . . . 1.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -56.8 -40.33 75.77 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.044 1.465 . . . . 1.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.458 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -56.06 -49.71 73.01 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.486 ' HA ' ' HB3' ' A' ' 57' ' ' LEU . 7.1 m120 -78.84 -21.72 47.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.045 1.466 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.6 ' CD2' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -59.01 -52.99 63.38 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.0 1.438 . . . . 1.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 11.5 t -82.75 -22.24 34.42 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.973 1.421 . . . . 1.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -82.56 -9.35 59.44 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.057 1.473 . . . . 1.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.446 ' ND2' HG13 ' A' ' 12' ' ' ILE . 2.3 m-80 -88.6 -82.09 0.25 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.97 1.419 . . . . 1.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.546 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 91.1 m-20 -71.2 -53.3 14.91 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.006 1.441 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 9.9 m 95.85 49.61 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.02 1.45 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.86 -173.5 4.72 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.993 1.433 . . . . 1.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 5.2 m -118.28 124.71 73.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.994 1.434 . . . . 1.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -99.16 147.19 25.36 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.024 1.452 . . . . 1.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.444 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 1.1 pt -106.77 99.76 27.38 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 124.939 1.4 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.0 91.54 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.489 2.793 . . . . 1.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 63.43 71.68 0.5 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.07 1.481 . . . . 1.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 3.3 tp10 -73.28 137.64 78.45 Favored Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.976 1.423 . . . . 1.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -75.04 71.88 4.87 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.483 2.789 . . . . 1.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.62 -41.71 0.05 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 109.298 -1.521 . . . . 1.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' ND2' ' CE1' ' A' ' 76' ' ' TYR . 35.7 m-80 -78.78 160.71 71.29 Favored Pre-proline 0 C--O 1.24 0.591 0 O-C-N 125.023 1.072 . . . . 1.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.3 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.539 2.826 . . . . 1.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 132.41 71.22 0.09 OUTLIER Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.315 -1.514 . . . . 1.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -121.58 -60.62 1.59 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.054 1.09 . . . . 1.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -139.87 -148.88 5.27 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.752 ' O ' HG22 ' A' ' 25' ' ' THR . 5.3 m120 -130.5 175.65 8.8 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.97 1.041 . . . . 1.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.414 ' CE1' ' ND2' ' A' ' 70' ' ' ASN . 3.0 m-85 -126.65 78.87 1.82 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.049 1.468 . . . . 1.0 109.301 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.6 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 9.2 m0 -72.21 128.28 35.17 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.037 1.46 . . . . 1.0 109.272 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 28.1 m -124.15 135.32 53.41 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.952 1.408 . . . . 1.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.622 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -71.63 131.41 43.15 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.015 1.447 . . . . 1.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -78.01 143.26 65.69 Favored Pre-proline 0 C--O 1.241 0.619 0 O-C-N 124.988 1.43 . . . . 1.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 56.19 4.19 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.475 2.784 . . . . 1.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.76 -54.82 1.83 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.035 1.459 . . . . 1.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.526 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 10.0 t -79.47 -71.03 0.47 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 83' ' ' SER . 5.3 pt-20 51.3 18.01 0.57 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.011 1.444 . . . . 1.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -83.36 -42.04 17.51 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.994 1.434 . . . . 1.0 109.242 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.7 mmt -73.39 -27.99 61.77 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -52.63 -41.57 63.86 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.969 1.418 . . . . 1.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -173.47 68.3 0.03 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.005 1.441 . . . . 1.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -60.4 -48.63 80.91 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.001 1.438 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.0 -64.7 1.83 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p 175.97 -57.01 0.01 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.006 1.063 . . . . 1.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.99 53.54 0.0 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.034 1.459 . . . . 1.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.345 0.395 0 O-C-N 124.997 1.436 . . . . 1.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mtm . . . . . 0 C--O 1.24 0.564 0 CA-C-O 118.416 -0.802 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.498 ' HB ' ' CE1' ' A' ' 39' ' ' TYR . 2.0 p -113.65 -37.95 2.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.977 1.423 . . . . 1.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -126.23 67.7 64.12 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 125.062 1.476 . . . . 1.0 109.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.479 ' HD3' ' C ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.97 175.66 10.93 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.483 2.788 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.5 Cg_endo -75.0 110.92 3.21 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.44 2.76 . . . . 1.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.635 ' CE1' ' CE2' ' A' ' 40' ' ' TYR . 2.3 p90 -140.76 -162.38 1.35 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.96 1.413 . . . . 1.0 109.264 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.553 ' OG ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -138.41 150.13 46.2 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.983 1.427 . . . . 1.0 109.324 -179.546 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.479 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -85.45 -69.61 0.65 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.959 1.412 . . . . 1.0 109.327 -179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 10' ' ' ALA . 1.6 pp -53.52 -57.75 4.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.018 1.449 . . . . 1.0 109.36 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HB3' ' OG ' ' A' ' 7' ' ' SER . . . -50.29 -30.74 12.58 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.949 1.406 . . . . 1.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 7' ' ' SER . 1.2 tt -73.12 -34.76 66.32 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.994 1.434 . . . . 1.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.1 mp -81.42 -51.59 15.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.018 1.449 . . . . 1.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 9' ' ' ILE . 58.9 p -48.69 -36.28 15.8 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.98 1.425 . . . . 1.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.533 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 6.6 ptt? -76.99 -22.88 52.48 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.951 1.407 . . . . 1.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -79.59 -26.83 41.19 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.915 1.384 . . . . 1.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 12' ' ' ILE . 1.4 mp -79.56 -56.63 6.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.978 1.424 . . . . 1.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 3.6 pp -49.86 -28.77 6.96 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.943 1.402 . . . . 1.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -63.32 -13.42 38.64 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.08 1.487 . . . . 1.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 21' ' ' GLN . 17.8 m -115.59 81.79 9.39 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.02 25.38 0.38 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.518 2.812 . . . . 1.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 20.6 tt0 -116.56 -29.49 6.12 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 25.2 mtpt 95.06 30.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.978 1.424 . . . . 1.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -140.36 99.46 3.66 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.02 1.45 . . . . 1.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.431 HD13 ' OG ' ' A' ' 19' ' ' SER . 4.6 mm? -96.58 122.81 39.9 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.011 1.444 . . . . 1.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 75' ' ' ASN . 33.8 p -98.89 110.98 23.5 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.48 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -44.34 -40.67 5.49 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.031 1.457 . . . . 1.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.0 p -58.78 -39.31 80.67 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.97 1.418 . . . . 1.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -80.52 -31.51 36.89 Favored Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.328 -1.509 . . . . 1.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.48 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 3.5 mm -59.98 -58.05 8.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 124.986 1.051 . . . . 1.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.2 t -57.12 -42.94 81.81 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.022 1.451 . . . . 1.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -67.79 -33.87 75.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.977 1.423 . . . . 1.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 33' ' ' ILE . 7.2 t80 -65.06 -46.38 81.46 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.007 1.442 . . . . 1.0 109.358 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 32' ' ' PHE . 41.4 mm -63.33 -48.56 86.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.979 1.425 . . . . 1.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -24.31 67.66 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.961 1.413 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -67.52 -39.97 85.08 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.025 1.453 . . . . 1.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -91.52 -46.26 8.07 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 124.985 1.428 . . . . 1.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.487 ' CE2' HD12 ' A' ' 11' ' ' LEU . 3.2 m-85 -122.71 79.0 48.42 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 125.0 1.437 . . . . 1.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -34.28 4.0 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.533 2.822 . . . . 1.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.498 ' CE1' ' HB ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -68.66 -30.37 69.05 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.981 1.426 . . . . 1.0 109.277 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.635 ' CE2' ' CE1' ' A' ' 6' ' ' TYR . 1.1 t80 -64.63 -47.57 78.05 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.963 1.414 . . . . 1.0 109.277 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -78.17 -41.82 33.55 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 1.0 109.285 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.03 -21.94 47.6 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.006 1.442 . . . . 1.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.494 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 0.8 OUTLIER -113.99 -19.96 11.21 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.015 1.447 . . . . 1.0 109.344 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.743 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -130.3 66.69 78.72 Favored Pre-proline 0 C--O 1.239 0.524 0 O-C-N 124.997 1.436 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -9.21 20.7 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.473 2.782 . . . . 1.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.23 -17.28 46.63 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.034 1.459 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -81.16 9.74 6.4 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.026 1.453 . . . . 1.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -47.81 84.56 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.007 1.442 . . . . 1.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -81.2 -27.95 35.12 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.039 1.462 . . . . 1.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 t -53.61 -44.32 69.37 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.014 1.446 . . . . 1.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.1 pt -72.94 -34.34 45.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.009 1.443 . . . . 1.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' NE ' HD11 ' A' ' 26' ' ' LEU . 45.0 mtt180 -58.25 -49.6 76.52 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.988 1.43 . . . . 1.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 22.5 t60 -61.69 -60.32 3.84 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.458 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 12.8 t-20 -56.1 -29.58 60.8 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.016 1.448 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 11.4 tp -67.57 -44.07 79.07 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.955 1.409 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 24.6 p -83.53 -27.82 29.08 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.016 1.447 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -81.97 -16.37 50.61 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.949 1.406 . . . . 1.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 45.9 m-20 -86.11 -76.42 0.34 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.02 1.45 . . . . 1.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 6.2 m-20 -66.77 -60.14 2.94 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.002 1.439 . . . . 1.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 25.9 m 97.69 31.06 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -76.77 -177.21 4.2 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.994 1.434 . . . . 1.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 14.8 m -110.81 123.74 66.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.015 1.447 . . . . 1.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.52 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 2.1 ptpt -97.46 165.41 12.02 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.015 1.447 . . . . 1.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.413 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 54.4 mt -110.27 93.09 14.8 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 125.023 1.452 . . . . 1.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.04 17.62 0.59 Allowed 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.495 2.797 . . . . 1.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 64' ' ' ILE . 43.3 ttt-85 176.56 85.86 0.01 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -75.2 123.99 89.06 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 124.992 1.432 . . . . 1.0 109.255 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.19 1.68 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.521 2.814 . . . . 1.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.403 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . -75.82 -42.77 24.75 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.482 ' HB2' ' CG ' ' A' ' 73' ' ' LYS . 2.8 p30 -119.56 78.2 20.74 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.978 1.046 . . . . 1.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' ' 69' ' ' GLY . 18.4 Cg_endo -74.99 69.12 5.62 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.504 2.803 . . . . 1.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.43 63.17 0.15 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.313 -1.515 . . . . 1.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 70' ' ' ASN . 41.9 mmtm -143.81 -86.42 0.13 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.005 1.062 . . . . 1.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . -142.22 -126.45 2.12 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.811 ' O ' HG22 ' A' ' 25' ' ' THR . 84.5 m-20 -165.86 170.01 14.28 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.048 . . . . 1.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 8.2 m-85 -136.6 90.79 2.59 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.001 1.438 . . . . 1.0 109.292 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.614 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 4.4 m0 -82.64 131.87 35.2 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.0 1.438 . . . . 1.0 109.309 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.563 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 4.5 m -119.27 138.3 53.1 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.493 ' CD1' ' HB3' ' A' ' 59' ' ' ASP . 1.8 tp -70.36 119.84 15.14 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.029 1.456 . . . . 1.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -71.03 -52.11 9.9 Favored Pre-proline 0 C--O 1.241 0.609 0 O-C-N 124.96 1.413 . . . . 1.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.4 Cg_endo -74.99 64.25 6.03 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.543 2.829 . . . . 1.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 174.73 -56.62 0.01 OUTLIER 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.009 1.443 . . . . 1.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.73 -68.79 0.56 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 1.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 2.8 tm-20 -52.55 -41.18 63.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.045 1.466 . . . . 1.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -58.65 -50.75 72.69 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.004 1.44 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 mtt -58.07 -23.6 55.23 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.011 1.444 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 84' ' ' GLU . 5.3 t80 -58.36 -52.38 65.85 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.993 1.433 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 175.49 66.55 0.0 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.973 1.421 . . . . 1.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -80.23 -55.67 4.75 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.944 1.402 . . . . 1.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.06 -57.31 3.04 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 40.0 p 57.21 48.74 14.63 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.956 1.033 . . . . 1.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' A' ' 91' ' ' SER . 47.8 p90 47.22 34.18 2.92 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.998 1.436 . . . . 1.0 109.372 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 42.3 tp . . . . . 0 C--N 1.346 0.43 0 O-C-N 124.96 1.413 . . . . 1.0 109.261 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.239 0.545 0 CA-C-O 118.445 -0.788 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.427 HG11 ' CD2' ' A' ' 40' ' ' TYR . 22.8 m 42.51 29.48 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 124.951 1.407 . . . . 1.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.507 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 9.9 mttm -61.38 -53.57 61.07 Favored Pre-proline 0 C--O 1.24 0.573 0 O-C-N 124.995 1.434 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -74.99 153.21 41.65 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.552 2.835 . . . . 1.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.0 163.0 36.21 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.509 2.806 . . . . 1.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -138.44 -170.68 2.88 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.019 1.449 . . . . 1.0 109.303 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.75 135.78 49.41 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.049 1.468 . . . . 1.0 109.294 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 50' ' ' SER . 0.7 OUTLIER -80.09 -51.96 8.37 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.965 1.416 . . . . 1.0 109.317 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.895 ' O ' HG23 ' A' ' 13' ' ' THR . 0.2 OUTLIER -53.36 -41.73 45.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 124.957 1.411 . . . . 1.0 109.308 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -70.1 -21.22 63.14 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.974 1.421 . . . . 1.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.501 HD23 ' CD1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -80.84 -36.48 31.46 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.003 1.439 . . . . 1.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CD1' HD23 ' A' ' 11' ' ' LEU . 1.4 mp -80.82 -36.8 15.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.029 1.456 . . . . 1.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.895 HG23 ' O ' ' A' ' 9' ' ' ILE . 2.9 p -46.99 -42.33 17.8 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.015 1.447 . . . . 1.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.432 ' HE3' ' HD2' ' A' ' 36' ' ' ARG . 6.8 ptt? -82.8 -24.1 33.55 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.962 1.414 . . . . 1.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -68.43 -56.15 9.43 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -44.0 -48.55 2.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 124.977 1.423 . . . . 1.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.406 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 3.3 mp -50.08 -25.96 3.96 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.966 1.416 . . . . 1.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 13.9 mm100 -45.79 -27.8 0.92 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.991 1.432 . . . . 1.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.5 m -102.87 104.16 37.76 Favored Pre-proline 0 C--O 1.239 0.541 0 O-C-N 125.023 1.452 . . . . 1.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.05 0.74 8.57 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 123.478 2.785 . . . . 1.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 22' ' ' LYS . 1.6 tp60 -124.75 -82.24 0.64 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.977 1.423 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.811 ' O ' HG22 ' A' ' 78' ' ' THR . 1.6 ptmt 178.29 39.06 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.014 1.446 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CG ' ' HB2' ' A' ' 76' ' ' TYR . 5.0 mptt -132.7 90.62 2.79 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.0 1.437 . . . . 1.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -77.48 114.86 16.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.989 1.43 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.2 p -101.81 98.4 8.65 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.943 1.402 . . . . 1.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -51.91 -21.62 3.15 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.983 1.427 . . . . 1.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 p -75.4 -24.47 57.17 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.026 1.454 . . . . 1.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' GLU . . . -81.17 -57.75 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -43.53 -45.53 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.989 1.052 . . . . 1.0 109.328 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.9 t -50.47 -37.2 37.17 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLY . 8.1 tp10 -82.07 -31.55 30.78 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.974 1.421 . . . . 1.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.662 ' CE2' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -79.92 -55.6 4.85 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.027 1.454 . . . . 1.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.662 ' CD1' ' CE2' ' A' ' 32' ' ' PHE . 4.8 mm -56.47 -38.69 57.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.973 1.421 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -79.89 -24.4 41.18 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.991 1.432 . . . . 1.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 32' ' ' PHE . 1.1 m-20 -61.12 -49.0 79.04 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.002 1.439 . . . . 1.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HD2' ' HE3' ' A' ' 14' ' ' MET . 0.1 OUTLIER -89.6 -25.78 21.13 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.014 1.446 . . . . 1.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 36' ' ' ARG . 9.8 m-85 -128.99 69.23 80.76 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 124.974 1.421 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 36' ' ' ARG . 18.1 Cg_endo -75.05 -56.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.482 2.788 . . . . 1.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -53.59 -23.84 12.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.972 1.42 . . . . 1.0 109.264 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' CD2' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -65.28 -38.06 89.1 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.965 1.415 . . . . 1.0 109.298 -179.334 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -61.95 -53.6 53.34 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.942 1.401 . . . . 1.0 109.324 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -38.67 75.17 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.978 1.423 . . . . 1.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -53.21 18.09 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.959 1.412 . . . . 1.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.4 t80 -133.38 96.18 17.39 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.992 1.432 . . . . 1.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.81 10.4 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.479 2.786 . . . . 1.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -84.92 23.84 1.15 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.949 1.405 . . . . 1.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 32.2 m95 -68.16 -58.4 4.51 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.998 1.436 . . . . 1.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.55 ' CD ' ' CD1' ' A' ' 26' ' ' LEU . 24.6 tt0 -50.15 -36.37 29.82 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.046 1.466 . . . . 1.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -72.56 -48.09 42.82 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 3.0 p -65.6 -60.88 2.46 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.979 1.424 . . . . 1.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.732 ' O ' ' N ' ' A' ' 55' ' ' LEU . 7.5 pt -48.28 -54.43 4.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.007 1.442 . . . . 1.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' N ' ' CG1' ' A' ' 51' ' ' ILE . 0.3 OUTLIER -44.73 -39.42 5.16 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.015 1.447 . . . . 1.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -71.97 -54.98 8.29 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.952 1.408 . . . . 1.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' ND2' ' OD1' ' A' ' 58' ' ' ASN . 14.3 t30 -66.47 -29.0 69.03 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.016 1.447 . . . . 1.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 51' ' ' ILE . 2.9 mt -54.73 -54.28 44.03 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.986 1.429 . . . . 1.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -74.96 -26.47 59.61 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.996 1.435 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.07 16.7 2.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.007 1.442 . . . . 1.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' OD1' ' ND2' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -113.55 -83.27 0.6 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.003 1.439 . . . . 1.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.555 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.6 m-20 -81.97 -39.23 23.95 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.997 1.436 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 6.1 m 92.24 52.32 0.0 OUTLIER 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.036 1.46 . . . . 1.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -92.06 -170.57 2.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.051 1.469 . . . . 1.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 3.3 t -118.04 135.66 57.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 125.025 1.453 . . . . 1.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.628 ' HB3' ' CE2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -103.36 142.75 33.68 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.289 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.565 ' N ' ' HD3' ' A' ' 65' ' ' PRO . 1.1 pp -130.72 58.46 38.94 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 125.016 1.448 . . . . 1.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 33.61 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.52 2.813 . . . . 1.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 64' ' ' ILE . 5.4 ttm180 -173.96 63.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.988 1.43 . . . . 1.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -89.27 134.06 33.72 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 125.039 1.462 . . . . 1.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 36.33 0.44 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.5 2.8 . . . . 1.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.568 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 157.42 74.71 0.02 OUTLIER Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.288 -1.525 . . . . 1.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 1.4 m-20 -125.15 63.49 41.93 Favored Pre-proline 0 C--O 1.24 0.583 0 O-C-N 124.93 1.017 . . . . 1.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.568 ' HD3' ' C ' ' A' ' 69' ' ' GLY . 18.4 Cg_endo -74.9 53.98 3.46 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.544 2.83 . . . . 1.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.17 -87.96 1.13 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.31 -55.0 0.44 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.005 1.062 . . . . 1.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -145.32 -109.23 0.61 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.32 -172.39 2.61 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.021 1.071 . . . . 1.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.542 ' CD1' HD11 ' A' ' 64' ' ' ILE . 3.7 p90 -158.65 118.84 3.22 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.961 1.413 . . . . 1.0 109.316 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.628 ' CE2' ' HB3' ' A' ' 63' ' ' LYS . 3.3 m0 -94.23 153.36 18.1 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.058 1.474 . . . . 1.0 109.275 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 22' ' ' LYS . 65.3 p -131.43 144.97 51.57 Favored 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.983 1.427 . . . . 1.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.497 HD22 ' CB ' ' A' ' 83' ' ' SER . 0.1 OUTLIER -71.35 152.47 43.16 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.002 1.439 . . . . 1.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.526 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -79.38 -52.19 1.17 Allowed Pre-proline 0 C--O 1.239 0.524 0 O-C-N 125.052 1.47 . . . . 1.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.6 Cg_endo -74.91 -16.43 20.46 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.51 2.807 . . . . 1.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 74.44 49.96 0.1 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.976 1.422 . . . . 1.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' HD22 ' A' ' 79' ' ' LEU . 2.9 t -73.69 -35.6 65.18 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.97 1.419 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.9 -35.15 79.1 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.984 1.428 . . . . 1.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -55.76 14.67 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.06 1.475 . . . . 1.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.486 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -79.9 -73.46 0.35 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.965 1.415 . . . . 1.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 86' ' ' MET . 0.1 OUTLIER 158.39 -61.78 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.991 1.432 . . . . 1.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -137.99 29.12 2.56 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.987 1.43 . . . . 1.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -78.36 -32.86 49.22 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.984 1.428 . . . . 1.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 91' ' ' SER . . . -70.92 -64.32 2.85 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.272 -1.531 . . . . 1.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 90' ' ' GLY . 6.3 p 159.72 79.44 0.0 OUTLIER 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.002 1.06 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.55 -62.98 1.45 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.958 1.411 . . . . 1.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.345 0.386 0 O-C-N 124.952 1.407 . . . . 1.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.423 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.555 0 CA-C-O 118.386 -0.816 . . . . 1.0 109.291 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.532 HG12 ' CZ ' ' A' ' 39' ' ' TYR . 3.6 m 41.99 27.62 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.02 1.45 . . . . 1.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.557 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -73.91 -60.38 1.56 Allowed Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.996 1.435 . . . . 1.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -74.99 110.72 3.17 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.521 2.814 . . . . 1.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.04 166.25 29.55 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.52 2.813 . . . . 1.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CE2' ' OH ' ' A' ' 40' ' ' TYR . 2.0 m-85 -119.92 -78.8 0.59 Allowed 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.994 1.434 . . . . 1.0 109.31 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 36.5 t -143.48 120.38 11.3 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.008 1.443 . . . . 1.0 109.276 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.432 ' HB3' ' ND2' ' A' ' 54' ' ' ASN . 9.5 m-85 -75.54 -50.06 16.79 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.964 1.415 . . . . 1.0 109.305 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 10' ' ' ALA . 28.9 pt -57.12 -39.91 69.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.008 1.443 . . . . 1.0 109.32 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 7' ' ' SER . . . -54.2 -40.29 67.46 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.029 1.456 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 7' ' ' SER . 41.8 mt -71.56 -47.18 56.65 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.986 1.429 . . . . 1.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.5 ' CG2' HD23 ' A' ' 55' ' ' LEU . 5.7 mm -60.99 -40.55 85.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.037 1.46 . . . . 1.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -45.04 -42.04 8.12 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.015 1.447 . . . . 1.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.456 ' CE ' ' CZ ' ' A' ' 36' ' ' ARG . 23.4 ttp -79.67 -31.26 41.4 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.69 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -64.15 -44.99 90.43 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.001 1.438 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.511 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -75.15 -34.66 32.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.017 1.448 . . . . 1.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.69 -44.6 96.34 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.94 1.4 . . . . 1.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -47.44 -24.61 0.85 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.034 1.459 . . . . 1.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.426 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.5 p -71.78 114.47 28.9 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.019 1.449 . . . . 1.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.18 10.88 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.523 2.816 . . . . 1.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.76 -82.87 0.23 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.004 1.44 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.83 38.71 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 1.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 76' ' ' TYR . 11.9 mttm -131.27 105.73 7.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.031 1.457 . . . . 1.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 3.5 mm? -104.62 111.07 23.62 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.98 1.425 . . . . 1.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.818 HG22 ' O ' ' A' ' 75' ' ' ASN . 53.0 p -85.67 104.47 15.42 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.99 1.431 . . . . 1.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HG ' ' CD ' ' A' ' 52' ' ' ARG . 2.5 tm? -43.09 -29.34 0.35 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.945 1.403 . . . . 1.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.0 m -76.29 -42.49 45.23 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.84 -21.68 65.47 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 mp -74.41 -46.74 42.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 125.014 1.067 . . . . 1.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 p -56.89 -35.76 69.34 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.967 1.417 . . . . 1.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 4.7 tt0 -73.92 -44.99 53.31 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.032 1.458 . . . . 1.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.69 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -51.41 -45.08 62.41 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.036 1.46 . . . . 1.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.84 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 4.5 mt -79.51 -27.1 12.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 124.995 1.434 . . . . 1.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -65.47 -28.96 69.58 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.643 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 1.6 p-10 -85.45 -2.03 57.68 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.04 1.463 . . . . 1.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.555 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 2.4 ptt180 -135.56 6.14 3.22 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.977 1.423 . . . . 1.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.84 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 2.2 m-85 -131.16 72.9 81.16 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.036 1.46 . . . . 1.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' O ' ' HB2' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.03 -66.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.498 2.799 . . . . 1.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CZ ' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -80.99 1.02 33.03 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.969 1.418 . . . . 1.0 109.313 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.611 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -86.34 -50.42 6.94 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.937 1.398 . . . . 1.0 109.274 -179.32 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -84.35 -41.91 16.28 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.971 1.419 . . . . 1.0 109.303 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -66.06 -7.03 15.0 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.018 1.449 . . . . 1.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -107.81 -49.29 3.25 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.44 . . . . 1.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.745 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.1 t80 -131.11 71.27 82.28 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.03 1.456 . . . . 1.0 109.225 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -4.85 16.01 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.537 2.825 . . . . 1.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . . . -80.93 -20.09 42.84 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.997 1.436 . . . . 1.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.745 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.69 12.07 5.14 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.982 1.426 . . . . 1.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.8 -44.59 90.82 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.974 1.421 . . . . 1.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -81.37 -38.54 26.45 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.024 1.452 . . . . 1.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -48.27 -40.69 25.61 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.045 1.466 . . . . 1.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.521 HD11 ' CE2' ' A' ' 47' ' ' TRP . 88.2 mt -66.71 -41.29 87.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 1.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.517 ' CD ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.1 -42.53 76.92 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.988 1.43 . . . . 1.0 109.358 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.503 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -57.35 -57.93 10.5 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.019 1.449 . . . . 1.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 8' ' ' TYR . 2.3 t30 -65.68 -24.17 66.94 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.982 1.426 . . . . 1.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.509 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -59.01 -51.97 67.77 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.0 1.438 . . . . 1.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 3.9 t -84.88 -17.89 36.51 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.977 1.423 . . . . 1.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.3 mm? -83.23 -15.3 50.92 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.021 1.451 . . . . 1.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -88.12 -84.81 0.19 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.021 1.45 . . . . 1.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.4 m-20 -61.36 -54.37 44.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.001 1.438 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 94.62 44.14 0.0 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.001 1.438 . . . . 1.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -85.67 -176.23 5.96 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.03 1.456 . . . . 1.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 84.0 t -112.6 127.04 70.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.965 1.415 . . . . 1.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HB2' ' NE1' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -105.71 137.6 43.3 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.949 1.406 . . . . 1.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.556 HG21 ' CG ' ' A' ' 67' ' ' GLU . 3.0 mp -88.77 111.37 43.91 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.007 1.442 . . . . 1.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 -9.05 20.6 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.477 2.785 . . . . 1.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.57 84.78 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.556 ' CG ' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -68.42 148.21 98.17 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 124.995 1.435 . . . . 1.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.01 -1.63 11.49 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.499 2.799 . . . . 1.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.44 41.67 1.43 Allowed Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.306 -1.518 . . . . 1.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.402 ' OD1' ' HD2' ' A' ' 71' ' ' PRO . 39.9 t30 -137.55 130.78 17.03 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 125.033 1.078 . . . . 1.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -75.05 -36.46 2.51 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.543 2.829 . . . . 1.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.16 67.03 0.07 OUTLIER Glycine 0 C--N 1.345 1.031 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.45 -66.36 1.07 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.966 1.039 . . . . 1.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.87 -127.59 2.34 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.818 ' O ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -168.32 177.15 5.53 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.988 1.052 . . . . 1.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.503 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -127.6 97.34 4.82 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.996 1.435 . . . . 1.0 109.316 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.506 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 14.1 m0 -80.71 133.42 35.68 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.976 1.423 . . . . 1.0 109.279 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 30.8 p -120.59 133.62 55.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.993 1.433 . . . . 1.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.68 133.55 46.74 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.983 1.427 . . . . 1.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 1.4 p-10 -70.16 118.05 60.11 Favored Pre-proline 0 C--O 1.239 0.51 0 O-C-N 125.037 1.461 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 57.25 4.52 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.49 2.794 . . . . 1.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 176.57 45.7 0.0 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.005 1.441 . . . . 1.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 90' ' ' GLY . 63.7 p -80.0 -47.52 14.8 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.97 1.419 . . . . 1.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.88 34.1 3.75 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.964 1.415 . . . . 1.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -77.0 -41.55 42.32 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.021 1.451 . . . . 1.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.427 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -73.41 -66.82 0.64 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.987 1.429 . . . . 1.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 86' ' ' MET . 34.4 p90 174.84 -53.92 0.01 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.003 1.439 . . . . 1.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.401 ' N ' ' CD2' ' A' ' 87' ' ' PHE . 72.3 m-20 -141.7 31.5 1.65 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.022 1.451 . . . . 1.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -79.22 -51.74 9.08 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.039 1.462 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 83' ' ' SER . . . -63.63 -54.67 29.9 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.27 -1.532 . . . . 1.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.5 t -63.23 -56.26 18.12 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.005 1.062 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.1 t80 64.93 57.89 0.97 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.963 1.415 . . . . 1.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.398 0 O-C-N 125.021 1.451 . . . . 1.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttt . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.313 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.515 HG11 ' CG ' ' A' ' 39' ' ' TYR . 32.3 m -107.44 -46.32 7.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.978 1.424 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -162.75 143.14 7.38 Favored Pre-proline 0 C--O 1.24 0.557 0 O-C-N 125.005 1.441 . . . . 1.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -74.99 169.34 22.85 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.479 2.786 . . . . 1.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 18.5 Cg_endo -74.93 156.7 43.32 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.512 2.808 . . . . 1.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -119.22 -83.03 0.65 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.98 1.425 . . . . 1.0 109.3 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 m -141.03 142.58 34.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.048 1.467 . . . . 1.0 109.274 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -47.26 13.57 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.985 1.428 . . . . 1.0 109.273 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.784 ' O ' HG23 ' A' ' 13' ' ' THR . 22.6 pt -61.29 -48.0 90.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 125.027 1.454 . . . . 1.0 109.337 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -55.03 -24.84 26.69 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.954 1.409 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.56 HD11 ' CE2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -80.92 -45.27 17.0 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.019 1.449 . . . . 1.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.578 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.8 mp -74.14 -45.72 47.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.988 1.43 . . . . 1.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.784 HG23 ' O ' ' A' ' 9' ' ' ILE . 17.6 p -41.22 -34.51 0.49 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.993 1.433 . . . . 1.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -83.87 -33.03 24.9 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.944 1.402 . . . . 1.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.792 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -63.18 -47.38 82.88 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.993 1.433 . . . . 1.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 79' ' ' LEU . 2.2 tp -49.28 -42.71 15.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.034 1.459 . . . . 1.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.0 mm? -51.68 -31.64 26.63 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.95 1.406 . . . . 1.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.792 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -42.49 -31.65 0.46 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.434 . . . . 1.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -127.11 99.2 28.75 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.79 10.39 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.487 2.791 . . . . 1.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.61 -76.76 0.6 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.995 1.435 . . . . 1.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.724 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER 167.37 42.5 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.029 1.456 . . . . 1.0 109.334 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.31 93.9 2.63 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.003 1.439 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' A' ' 16' ' ' ILE . 1.1 mp -106.6 119.93 40.6 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.015 1.447 . . . . 1.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 75' ' ' ASN . 52.7 p -95.42 102.68 14.51 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.952 1.408 . . . . 1.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 2.8 tm? -45.24 -30.26 1.18 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t -60.29 -45.86 91.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 1.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.15 -24.33 61.67 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 34.7 mm -60.39 -54.16 38.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 125.067 1.098 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 t -54.57 -44.99 73.45 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.99 1.431 . . . . 1.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -66.51 -31.96 73.01 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.04 1.463 . . . . 1.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.654 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 1.1 t80 -67.44 -43.7 80.5 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.004 1.44 . . . . 1.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.557 HD13 ' CE2' ' A' ' 32' ' ' PHE . 49.3 mm -62.57 -58.47 7.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.054 1.471 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.7 p -59.81 -18.66 45.48 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.93 1.394 . . . . 1.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.67 -38.14 80.67 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.98 1.425 . . . . 1.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.567 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -128.03 6.88 6.01 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 88.1 m-85 -142.16 62.03 13.14 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.947 1.404 . . . . 1.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.98 -47.24 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.549 2.833 . . . . 1.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.515 ' CG ' HG11 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -70.82 -21.81 62.41 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.019 1.45 . . . . 1.0 109.295 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CD1' ' CH2' ' A' ' 47' ' ' TRP . 1.4 t80 -68.51 -49.44 59.6 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.025 1.453 . . . . 1.0 109.278 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -73.38 -33.5 65.07 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.014 1.446 . . . . 1.0 109.293 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -14.56 62.01 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.0 10.77 10.18 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.451 . . . . 1.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.81 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.9 t80 -178.83 65.01 0.17 Allowed Pre-proline 0 C--O 1.24 0.594 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.99 -17.75 19.32 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.515 2.81 . . . . 1.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.21 -17.07 64.51 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.01 1.444 . . . . 1.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.81 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -80.14 -1.1 38.76 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.984 1.427 . . . . 1.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -60.46 -41.72 94.73 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.029 1.456 . . . . 1.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 9.2 t30 -80.43 -39.14 28.8 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.008 1.442 . . . . 1.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.44 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 89.3 p -56.34 -48.95 75.72 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.971 1.419 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 81.9 mt -51.29 -30.82 10.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.439 . . . . 1.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' NE ' ' HG ' ' A' ' 26' ' ' LEU . 12.4 mtp180 -80.21 -37.94 32.15 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.985 1.428 . . . . 1.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -60.04 -61.32 2.7 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.005 1.441 . . . . 1.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -25.68 67.93 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.99 1.431 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.569 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 1.4 mt -58.14 -53.18 61.21 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.005 1.441 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.478 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 3.1 t -81.94 -17.72 46.07 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.996 1.435 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.8 mp -81.28 -12.0 59.2 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.005 1.44 . . . . 1.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -98.79 -84.45 0.4 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.992 1.432 . . . . 1.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.622 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.1 m-20 -55.64 -52.84 62.46 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.966 1.416 . . . . 1.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER 95.26 37.46 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.002 1.439 . . . . 1.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -84.88 -176.65 6.31 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.024 1.452 . . . . 1.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -119.33 127.0 75.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.041 1.463 . . . . 1.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -104.88 142.38 34.85 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.948 1.405 . . . . 1.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 1.0 OUTLIER -125.87 70.44 66.59 Favored Pre-proline 0 C--O 1.239 0.528 0 O-C-N 124.901 1.376 . . . . 1.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.06 42.3 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.479 2.786 . . . . 1.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER 174.8 68.81 0.0 OUTLIER 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.963 1.415 . . . . 1.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 69' ' ' GLY . 10.6 tt0 -110.17 117.01 52.51 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.043 1.464 . . . . 1.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 26.17 0.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.473 2.782 . . . . 1.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.486 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . -153.74 34.43 0.74 Allowed Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.285 -1.526 . . . . 1.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.487 ' ND2' ' CE2' ' A' ' 76' ' ' TYR . 50.3 t-20 -127.96 65.63 69.24 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 125.03 1.077 . . . . 1.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.486 ' HD3' ' C ' ' A' ' 69' ' ' GLY . 18.4 Cg_endo -75.01 60.89 5.57 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.477 2.785 . . . . 1.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.48 -85.18 0.69 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.267 -1.533 . . . . 1.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -140.97 -55.89 0.5 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.044 . . . . 1.0 109.337 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.33 -115.49 1.12 Allowed Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.27 -1.532 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 25' ' ' THR . 12.0 p30 -131.87 -165.28 1.56 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.022 1.072 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.487 ' CE2' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -157.42 136.8 11.98 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.993 1.433 . . . . 1.0 109.339 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.549 ' N ' ' CD1' ' A' ' 77' ' ' TRP . 2.3 m0 -95.68 145.87 24.95 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.995 1.434 . . . . 1.0 109.251 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 22' ' ' LYS . 37.1 p -126.59 136.1 52.1 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.998 1.436 . . . . 1.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.544 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -72.66 131.01 41.85 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.023 1.452 . . . . 1.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -118.21 148.23 43.28 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 41.21 0.72 Allowed 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.503 2.802 . . . . 1.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -25.23 19.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.439 . . . . 1.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 t -70.54 -67.44 0.5 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.984 1.428 . . . . 1.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.59 10.93 1.55 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.037 1.461 . . . . 1.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -80.53 -48.59 12.54 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.041 1.463 . . . . 1.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -80.63 -75.67 0.26 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.02 1.45 . . . . 1.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 38.15 33.82 0.06 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.998 1.436 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -178.69 -74.8 0.01 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.994 1.434 . . . . 1.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -60.41 -19.96 57.95 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.48 96.26 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.309 -1.517 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.66 39.26 17.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.981 1.048 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -75.9 -52.58 9.99 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.982 1.426 . . . . 1.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--N 1.345 0.41 0 O-C-N 124.948 1.405 . . . . 1.0 109.286 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.586 0 CA-C-O 118.371 -0.823 . . . . 1.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 4' ' ' PRO . 3.8 t -136.51 -71.74 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.999 1.437 . . . . 1.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 2' ' ' VAL . 5.1 tmtt? -27.91 90.55 0.05 OUTLIER Pre-proline 0 C--O 1.239 0.548 0 O-C-N 124.988 1.43 . . . . 1.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.547 ' N ' ' O ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.98 173.99 13.55 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.507 2.805 . . . . 1.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 91.73 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.496 2.798 . . . . 1.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -126.81 174.23 8.95 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.026 1.454 . . . . 1.0 109.278 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.97 167.31 20.51 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.012 1.445 . . . . 1.0 109.262 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.5 m-85 -81.16 -70.87 0.5 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.058 1.474 . . . . 1.0 109.303 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -47.76 -37.6 6.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.034 1.459 . . . . 1.0 109.325 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.01 -30.43 71.41 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.985 1.428 . . . . 1.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.676 ' CD2' ' CZ ' ' A' ' 37' ' ' PHE . 2.9 tm? -71.9 -57.28 4.45 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.992 1.433 . . . . 1.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 16' ' ' ILE . 2.1 mp -59.16 -42.41 86.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 125.028 1.455 . . . . 1.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -47.08 -37.52 9.74 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.001 1.438 . . . . 1.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.484 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 32.9 ttp -82.76 -35.14 26.81 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.982 1.426 . . . . 1.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -71.1 -30.19 66.23 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.931 1.394 . . . . 1.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.544 HD13 ' CE2' ' A' ' 61' ' ' PHE . 11.2 tp -79.65 -51.25 16.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.43 . . . . 1.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 0.9 OUTLIER -60.65 -28.37 68.52 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.987 1.43 . . . . 1.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 2.6 pp0? -49.6 -25.38 2.74 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.989 1.43 . . . . 1.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -69.4 114.79 26.57 Favored Pre-proline 0 C--O 1.24 0.582 0 O-C-N 125.03 1.456 . . . . 1.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -75.01 -1.42 11.21 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.492 2.794 . . . . 1.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -140.01 -83.91 0.24 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.971 1.419 . . . . 1.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.534 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER -179.43 37.29 0.0 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.02 1.45 . . . . 1.0 109.324 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -142.86 108.08 4.99 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.031 1.457 . . . . 1.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HB2' HD11 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -117.2 128.66 55.32 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.031 1.457 . . . . 1.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 75' ' ' ASN . 29.2 p -95.95 119.37 34.32 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.98 1.425 . . . . 1.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -49.66 -38.44 32.54 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 1.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.8 p -52.7 -39.18 61.76 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -79.07 -30.96 44.63 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.295 -1.522 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.469 HD11 ' HB2' ' A' ' 24' ' ' LEU . 1.7 mp -59.05 -37.87 70.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 124.95 1.029 . . . . 1.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.43 -56.55 11.87 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.014 1.446 . . . . 1.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -67.25 -33.48 75.42 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.022 1.451 . . . . 1.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' GLY . 1.5 t80 -56.89 -32.25 65.69 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.019 1.449 . . . . 1.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mt -75.18 -57.32 6.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 125.0 1.437 . . . . 1.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 t -54.72 -18.36 4.56 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.965 1.416 . . . . 1.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 10.6 m120 -74.5 -44.56 50.76 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.971 1.419 . . . . 1.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -90.21 -47.81 7.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.995 1.434 . . . . 1.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.676 ' CZ ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -119.0 81.79 20.27 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 125.005 1.441 . . . . 1.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.25 5.6 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.531 2.821 . . . . 1.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -26.5 59.53 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.014 1.446 . . . . 1.0 109.292 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CG ' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -65.2 -55.03 20.87 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.02 1.45 . . . . 1.0 109.299 -179.351 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -59.7 -41.37 90.62 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.312 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.26 -7.82 53.16 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.019 1.45 . . . . 1.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.61 -46.27 4.39 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.988 1.43 . . . . 1.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.739 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.4 t80 -138.28 73.56 43.46 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.037 1.46 . . . . 1.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.95 17.45 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.514 2.809 . . . . 1.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.74 -11.01 59.68 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.979 1.424 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.739 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -89.48 18.27 5.49 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.469 . . . . 1.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.68 -52.15 58.77 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.031 1.457 . . . . 1.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 36.9 t30 -80.32 -27.15 38.46 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.976 1.423 . . . . 1.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.54 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 38.8 m -53.84 -44.27 70.16 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.405 ' CG1' HD11 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -72.43 -28.09 27.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.001 1.438 . . . . 1.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.508 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 20.8 mtm180 -65.07 -43.45 92.19 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.957 1.411 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -59.84 -53.34 59.08 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.0 1.437 . . . . 1.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.484 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 5.1 m120 -69.26 -25.78 64.44 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.949 1.406 . . . . 1.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.586 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 11.7 tp -59.39 -50.93 72.05 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.013 1.446 . . . . 1.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.563 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.1 t -77.94 -27.01 49.24 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.015 1.447 . . . . 1.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.2 mp -84.38 5.42 27.19 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.999 1.437 . . . . 1.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' OD1' ' OD2' ' A' ' 59' ' ' ASP . 14.6 t-20 -94.83 -83.37 0.35 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.031 1.457 . . . . 1.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.584 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 21.3 m-20 -79.55 -27.21 41.28 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.961 1.413 . . . . 1.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 75.34 33.67 0.67 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.997 1.436 . . . . 1.0 109.271 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -67.83 -176.17 0.63 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -112.51 125.75 69.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 125.04 1.462 . . . . 1.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -107.83 151.24 26.0 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.95 1.406 . . . . 1.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 1.3 mp -110.78 95.85 25.8 Favored Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 5.02 4.24 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.512 2.808 . . . . 1.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.86 83.15 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 69' ' ' GLY . 13.0 tp10 -70.87 132.64 86.69 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 125.007 1.442 . . . . 1.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 34.32 0.39 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.534 2.823 . . . . 1.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 67' ' ' GLU . . . 167.56 53.48 0.03 OUTLIER Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.321 -1.512 . . . . 1.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -96.27 159.78 31.25 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.005 1.062 . . . . 1.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -33.46 4.5 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.526 2.818 . . . . 1.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 115.16 54.43 0.38 Allowed Glycine 0 C--N 1.344 1.026 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -137.62 -80.07 0.37 Allowed 'General case' 0 C--O 1.239 0.553 0 O-C-N 124.989 1.052 . . . . 1.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -139.84 -123.49 2.04 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.287 -1.525 . . . . 1.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.709 ' O ' HG22 ' A' ' 25' ' ' THR . 4.1 m-80 -153.73 -156.09 0.65 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.04 1.082 . . . . 1.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -155.77 112.75 3.22 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.005 1.44 . . . . 1.0 109.324 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 3.0 m0 -89.54 129.67 35.98 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.0 1.438 . . . . 1.0 109.276 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 48.9 p -114.44 141.77 47.24 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.029 1.456 . . . . 1.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.505 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -74.32 124.05 25.75 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.969 1.418 . . . . 1.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -113.0 122.97 34.58 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.041 1.463 . . . . 1.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.91 4.11 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.451 2.768 . . . . 1.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.503 ' HG2' ' CB ' ' A' ' 85' ' ' ASP . 2.9 tt0 70.58 44.44 0.67 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.978 1.424 . . . . 1.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.8 t -82.13 -21.81 36.47 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.431 . . . . 1.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.409 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 4.0 pt-20 -86.02 -33.26 21.09 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.98 1.425 . . . . 1.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.503 ' CB ' ' HG2' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -80.28 -47.42 14.58 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 87' ' ' PHE . 4.1 ptt? -47.61 -33.77 7.06 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.947 1.404 . . . . 1.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.594 ' O ' ' CG ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -111.04 24.65 12.66 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.985 1.428 . . . . 1.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 t70 177.12 57.37 0.0 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.014 1.446 . . . . 1.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' ASP . 21.5 m-80 -79.08 -56.95 3.99 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.963 1.415 . . . . 1.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.17 -71.15 1.29 Allowed Glycine 0 C--N 1.344 1.027 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.1 p 164.69 76.99 0.0 OUTLIER 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.968 1.04 . . . . 1.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -129.33 -53.05 1.18 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 125.027 1.454 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tp . . . . . 0 C--N 1.345 0.385 0 O-C-N 125.085 1.491 . . . . 1.0 109.297 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.408 ' O ' HG12 ' A' ' 2' ' ' VAL . 11.9 mmt . . . . . 0 C--O 1.239 0.552 0 CA-C-O 118.436 -0.793 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.482 HG23 ' CZ ' ' A' ' 40' ' ' TYR . 6.1 p 41.67 29.47 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.951 1.407 . . . . 1.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.619 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -76.3 -46.5 3.51 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.979 1.424 . . . . 1.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.03 177.36 8.7 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.501 2.8 . . . . 1.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.05 177.62 8.36 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.475 2.783 . . . . 1.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.653 ' CZ ' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -140.61 155.38 46.57 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.01 1.444 . . . . 1.0 109.29 -179.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.53 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 1.3 p -127.34 136.6 52.14 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.003 1.439 . . . . 1.0 109.334 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.433 ' OH ' ' CB ' ' A' ' 50' ' ' SER . 3.6 m-85 -82.57 -68.37 0.71 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.959 1.412 . . . . 1.0 109.284 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 13' ' ' THR . 1.8 pp -45.98 -52.68 2.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 125.016 1.447 . . . . 1.0 109.316 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -52.15 -29.43 22.06 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.012 1.445 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -82.26 -55.12 4.72 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.963 1.414 . . . . 1.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.504 ' CG2' ' ND2' ' A' ' 58' ' ' ASN . 1.5 mp -51.43 -48.57 34.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 125.01 1.443 . . . . 1.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 9' ' ' ILE . 13.6 p -39.64 -41.72 1.09 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.989 1.43 . . . . 1.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.1 ttp -81.98 -36.84 27.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.015 1.447 . . . . 1.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -57.94 -30.57 66.06 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.003 1.44 . . . . 1.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.493 HG21 ' CD1' ' A' ' 79' ' ' LEU . 50.3 mm -71.34 -34.43 53.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.982 1.426 . . . . 1.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.39 -29.36 69.87 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.934 1.396 . . . . 1.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 12.1 mm-40 -44.73 -26.99 0.44 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.437 . . . . 1.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.414 ' OG ' HD22 ' A' ' 24' ' ' LEU . 24.6 m -100.06 106.06 39.17 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.012 1.445 . . . . 1.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.1 Cg_endo -75.04 1.42 7.78 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.539 2.826 . . . . 1.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -84.32 0.65 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.985 1.428 . . . . 1.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.82 40.5 0.0 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.0 1.438 . . . . 1.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.555 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -140.97 109.41 5.9 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.026 1.454 . . . . 1.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 HD11 ' O ' ' A' ' 15' ' ' ALA . 2.7 mm? -94.12 130.15 40.42 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.012 1.445 . . . . 1.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 75' ' ' ASN . 73.3 p -104.06 107.59 18.55 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.908 1.38 . . . . 1.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 4.1 tp -46.9 -30.12 2.37 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.982 1.426 . . . . 1.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.4 m -65.02 -44.14 90.17 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 1.0 109.252 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -78.8 -25.64 59.99 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.316 -1.514 . . . . 1.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 5.2 mm -60.55 -56.88 14.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 O-C-N 125.007 1.063 . . . . 1.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 t -66.23 -40.64 90.42 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.998 1.436 . . . . 1.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 11.8 tt0 -64.17 -38.27 90.47 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.985 1.428 . . . . 1.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.541 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -60.1 -56.62 19.41 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.996 1.435 . . . . 1.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.486 HG13 ' CE2' ' A' ' 32' ' ' PHE . 4.5 mt -66.06 -13.83 16.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.992 1.433 . . . . 1.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 t -82.69 -41.73 18.97 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.966 1.417 . . . . 1.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.541 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -82.27 -26.56 33.05 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.633 ' CG ' ' CE1' ' A' ' 37' ' ' PHE . 14.4 tpt180 -82.33 -43.06 17.93 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.997 1.435 . . . . 1.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CE1' ' CG ' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -129.59 86.1 56.67 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.034 1.459 . . . . 1.0 109.298 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.16 0.42 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.472 2.781 . . . . 1.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -64.02 -30.31 71.4 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.982 1.426 . . . . 1.0 109.282 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.482 ' CZ ' HG23 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -70.05 -51.17 34.17 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.997 1.436 . . . . 1.0 109.331 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -20.76 66.2 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.979 1.424 . . . . 1.0 109.299 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -83.13 -26.38 31.02 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.021 1.451 . . . . 1.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -108.23 10.26 27.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.98 1.425 . . . . 1.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.576 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 65.7 t80 174.78 76.53 0.06 OUTLIER Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.016 1.448 . . . . 1.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 6.6 3.33 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.49 2.793 . . . . 1.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . . . -85.8 25.42 1.1 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.01 1.444 . . . . 1.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.653 ' CH2' ' CZ ' ' A' ' 6' ' ' TYR . 72.7 m95 -69.25 -57.03 5.88 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.951 1.407 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -46.88 -27.62 1.31 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.023 1.452 . . . . 1.0 109.304 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -82.27 -51.77 7.6 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.954 1.409 . . . . 1.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.433 ' CB ' ' OH ' ' A' ' 8' ' ' TYR . 22.0 p -64.56 -51.0 65.07 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.021 1.451 . . . . 1.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.565 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 2.8 pt -62.13 -35.8 70.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.979 1.424 . . . . 1.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 48' ' ' GLN . 9.4 mtt180 -51.08 -42.83 60.86 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.962 1.414 . . . . 1.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 57' ' ' LEU . 2.1 m-70 -81.55 -57.68 3.36 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.027 1.454 . . . . 1.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -51.85 -46.3 64.34 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.017 1.448 . . . . 1.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.63 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 22.4 tp -54.21 -52.2 62.02 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.028 1.455 . . . . 1.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 p -70.28 -34.82 73.23 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.991 1.432 . . . . 1.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' HIS . 1.2 mp -86.62 17.18 4.06 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.968 1.418 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' ND2' ' CG2' ' A' ' 12' ' ' ILE . 10.5 t30 -100.13 -87.02 0.38 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.06 1.475 . . . . 1.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 41.8 m-20 -82.53 -34.57 27.83 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.052 1.47 . . . . 1.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 89.89 40.72 0.01 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.011 1.444 . . . . 1.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.63 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -69.52 -175.8 0.89 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.983 1.427 . . . . 1.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 17.3 m -115.77 114.62 46.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.039 1.462 . . . . 1.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -104.38 147.0 28.03 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.008 1.442 . . . . 1.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.577 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -97.38 108.19 43.29 Favored Pre-proline 0 C--O 1.241 0.619 0 O-C-N 125.028 1.455 . . . . 1.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 12.81 1.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.557 2.838 . . . . 1.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 0.5 OUTLIER 177.88 84.01 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.044 1.465 . . . . 1.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' A' ' 74' ' ' GLY . 7.8 pt-20 -67.66 111.25 7.01 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 125.009 1.443 . . . . 1.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.98 54.47 3.64 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.513 2.808 . . . . 1.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.02 -53.7 0.02 OUTLIER Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.46 ' ND2' ' OH ' ' A' ' 76' ' ' TYR . 43.8 m-80 -83.59 159.31 61.4 Favored Pre-proline 0 C--O 1.24 0.563 0 O-C-N 125.062 1.095 . . . . 1.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.97 -18.06 19.12 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.549 2.832 . . . . 1.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.93 71.13 0.33 Allowed Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -119.65 -55.22 2.12 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.049 1.088 . . . . 1.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.487 ' O ' ' OE1' ' A' ' 67' ' ' GLU . . . -142.2 167.2 26.15 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.721 ' O ' HG22 ' A' ' 25' ' ' THR . 82.1 m-20 -120.09 -175.37 2.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.999 1.058 . . . . 1.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.487 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -146.85 90.11 1.88 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.963 1.414 . . . . 1.0 109.297 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.587 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 4.1 m0 -77.43 137.25 38.58 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.035 1.46 . . . . 1.0 109.27 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 18.7 m -114.02 134.53 54.8 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.493 ' CD1' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -72.31 135.64 46.01 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.995 1.434 . . . . 1.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 1.2 p30 -135.08 88.48 26.41 Favored Pre-proline 0 C--O 1.24 0.587 0 O-C-N 124.997 1.436 . . . . 1.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 31.15 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.482 2.788 . . . . 1.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' H ' ' C ' ' A' ' 80' ' ' ASP . 2.5 pp0? -106.85 -25.3 11.74 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.997 1.436 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.458 ' C ' ' N ' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -79.94 -73.78 0.33 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.95 1.406 . . . . 1.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 8.8 pt-20 43.62 22.0 0.03 OUTLIER 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.034 1.458 . . . . 1.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.458 ' N ' ' C ' ' A' ' 83' ' ' SER . 1.8 t0 -85.07 -22.41 28.98 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.981 1.425 . . . . 1.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 60.3 tpp -42.87 -34.43 0.95 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.972 1.42 . . . . 1.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 88' ' ' ASP . 21.1 p90 -108.94 -44.98 3.87 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.014 1.446 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -53.02 -35.32 59.31 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.98 1.425 . . . . 1.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -51.93 -40.44 60.8 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.972 1.42 . . . . 1.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.02 -63.88 2.99 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 12.2 p -176.15 -55.25 0.01 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.989 1.053 . . . . 1.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 91' ' ' SER . 92.6 m-85 -163.97 -58.14 0.04 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.023 1.452 . . . . 1.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.345 0.393 0 O-C-N 125.037 1.461 . . . . 1.0 109.319 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 mmt . . . . . 0 C--O 1.24 0.583 0 CA-C-O 118.438 -0.791 . . . . 1.0 109.283 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.582 HG11 ' CG ' ' A' ' 39' ' ' TYR . 10.5 p -165.46 -49.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.937 1.398 . . . . 1.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 179.63 121.53 0.22 Allowed Pre-proline 0 C--O 1.24 0.563 0 O-C-N 124.942 1.401 . . . . 1.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.99 4.75 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.496 2.797 . . . . 1.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.99 137.17 21.39 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.525 2.817 . . . . 1.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.45 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 1.1 p90 -138.39 -63.86 0.54 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.973 1.42 . . . . 1.0 109.342 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m -141.0 131.41 25.2 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.019 1.45 . . . . 1.0 109.301 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -24.26 55.32 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.026 1.454 . . . . 1.0 109.288 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 mm -51.12 -40.0 21.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 125.011 1.444 . . . . 1.0 109.292 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.99 85.61 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.954 1.409 . . . . 1.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' HG ' ' CE2' ' A' ' 37' ' ' PHE . 7.0 mp -66.87 -39.45 87.52 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.014 1.446 . . . . 1.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.446 HD12 ' CD1' ' A' ' 55' ' ' LEU . 41.3 mm -55.46 -45.99 78.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.975 1.422 . . . . 1.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -45.37 -40.21 7.7 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.936 1.397 . . . . 1.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 36' ' ' ARG . 42.8 ttp -80.81 -35.02 33.56 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.998 1.436 . . . . 1.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.566 ' HA ' ' CE1' ' A' ' 32' ' ' PHE . . . -60.1 -54.03 50.79 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.015 1.447 . . . . 1.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -64.29 -41.23 91.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.963 1.415 . . . . 1.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.85 -37.96 64.17 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.955 1.41 . . . . 1.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -52.01 -20.33 2.35 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.024 1.453 . . . . 1.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.47 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 66.3 m -114.4 81.81 7.04 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 125.004 1.44 . . . . 1.0 109.304 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.5 Cg_endo -75.05 3.01 6.02 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.505 2.804 . . . . 1.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -110.26 -77.98 0.59 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.004 1.44 . . . . 1.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 5.6 mtmm 163.55 44.32 0.0 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.002 1.439 . . . . 1.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 95.7 3.13 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.032 1.457 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 3.7 mt -119.52 114.82 22.85 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.949 1.405 . . . . 1.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.857 HG22 ' O ' ' A' ' 75' ' ' ASN . 19.7 p -102.87 115.18 30.1 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.022 1.451 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' CD2' ' CZ ' ' A' ' 52' ' ' ARG . 1.3 tp -43.96 -35.16 1.93 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.967 1.417 . . . . 1.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -70.32 -41.23 73.54 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.959 1.412 . . . . 1.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.09 -20.32 70.35 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 109.304 -1.518 . . . . 1.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.2 mp -78.98 -45.77 24.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.97 1.041 . . . . 1.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -60.63 -44.11 96.73 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.009 1.443 . . . . 1.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.37 -23.87 64.72 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.007 1.442 . . . . 1.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -74.08 -45.36 49.79 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.968 1.417 . . . . 1.0 109.345 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -50.19 71.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 O-C-N 124.972 1.42 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 84.8 p -56.62 -23.46 41.15 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.982 1.426 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -75.45 -51.96 11.82 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.003 1.439 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HG3' ' CE ' ' A' ' 14' ' ' MET . 12.9 mmt180 -75.77 -51.04 13.52 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.952 1.408 . . . . 1.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CE2' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -115.54 80.9 8.4 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 125.011 1.444 . . . . 1.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.06 -33.73 4.3 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.535 2.823 . . . . 1.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CG ' HG11 ' A' ' 2' ' ' VAL . 2.5 m-85 -75.73 -25.48 56.63 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.042 1.464 . . . . 1.0 109.332 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.623 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -62.21 -51.78 66.4 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.007 1.442 . . . . 1.0 109.29 -179.349 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 34' ' ' SER . 0.3 OUTLIER -73.63 -29.12 62.16 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.997 1.436 . . . . 1.0 109.304 -179.53 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.74 -13.74 58.72 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.036 1.46 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -121.2 11.2 10.81 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.006 1.441 . . . . 1.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.792 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.9 t80 179.77 65.1 0.13 Allowed Pre-proline 0 C--O 1.24 0.601 0 O-C-N 124.98 1.425 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -75.0 -14.91 20.99 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.531 2.821 . . . . 1.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.49 -10.68 59.8 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.958 1.411 . . . . 1.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.792 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -89.03 12.34 15.81 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.982 1.426 . . . . 1.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.84 -49.27 73.45 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.973 1.421 . . . . 1.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -82.28 -36.79 26.7 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.988 1.43 . . . . 1.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.417 ' OG ' ' HA ' ' A' ' 47' ' ' TRP . 20.0 p -57.26 -54.57 45.34 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.965 1.416 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 tt -54.71 -30.14 22.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.005 1.44 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.549 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 1.1 mtm180 -70.58 -39.99 73.54 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.972 1.42 . . . . 1.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 1.9 m170 -61.82 -59.69 4.77 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.0 1.438 . . . . 1.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -61.8 -26.11 67.9 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.943 1.402 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.446 ' CD1' HD12 ' A' ' 12' ' ' ILE . 1.1 tp -62.63 -49.26 75.88 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.98 1.425 . . . . 1.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.5 t -83.54 -17.56 41.42 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.437 . . . . 1.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 mp -83.74 -21.85 32.13 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.028 1.455 . . . . 1.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -87.31 -79.3 0.28 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.973 1.421 . . . . 1.0 109.316 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.737 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 3.8 m-20 -56.98 -51.27 69.87 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.991 1.432 . . . . 1.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 81.36 46.13 0.03 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.967 1.417 . . . . 1.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.737 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -88.25 -178.48 5.93 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.059 1.474 . . . . 1.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 78' ' ' THR . 75.2 t -117.4 127.36 74.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 1.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.609 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -102.69 165.09 11.26 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.017 1.448 . . . . 1.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 67' ' ' GLU . 1.1 pt -114.49 83.58 8.84 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 124.949 1.406 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.0 16.62 0.64 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.517 2.811 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 175.76 88.02 0.01 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.984 1.428 . . . . 1.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -137.4 172.99 5.94 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 124.946 1.404 . . . . 1.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.451 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.05 80.55 2.42 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.48 2.787 . . . . 1.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.24 42.45 0.25 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.264 -1.534 . . . . 1.0 109.264 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.562 ' CB ' ' HD3' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -84.86 -53.83 0.47 Allowed Pre-proline 0 C--O 1.239 0.544 0 O-C-N 125.021 1.071 . . . . 1.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.95 53.79 3.42 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.511 2.808 . . . . 1.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -128.29 -52.9 0.12 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.3 -1.52 . . . . 1.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -136.41 -80.27 0.4 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.016 1.068 . . . . 1.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.98 -111.4 0.89 Allowed Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.32 -1.512 . . . . 1.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.857 ' O ' HG22 ' A' ' 25' ' ' THR . 6.4 m-80 -146.56 -160.61 1.18 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.046 1.086 . . . . 1.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 38.2 m-85 -145.84 86.27 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.952 1.407 . . . . 1.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.609 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 5.8 m0 -81.64 125.92 31.14 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.05 1.469 . . . . 1.0 109.272 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 40.8 p -120.31 143.45 48.36 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.971 1.42 . . . . 1.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.499 ' HB3' ' CB ' ' A' ' 82' ' ' GLN . 0.1 OUTLIER -71.08 135.44 47.71 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.957 1.411 . . . . 1.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.598 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -73.65 -47.69 6.98 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 125.018 1.449 . . . . 1.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.5 Cg_endo -74.97 -23.36 13.95 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.542 2.828 . . . . 1.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.499 ' CB ' ' HB3' ' A' ' 79' ' ' LEU . 11.2 tt0 -85.78 -47.7 9.48 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.993 1.433 . . . . 1.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 84' ' ' GLU . 28.2 p -63.98 -63.38 1.17 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.986 1.429 . . . . 1.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER 78.3 -7.14 1.85 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.025 1.453 . . . . 1.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -81.61 -51.82 7.83 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.909 1.38 . . . . 1.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.436 ' HG3' ' N ' ' A' ' 87' ' ' PHE . 1.6 ptm -51.25 -23.15 3.21 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.002 1.439 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.436 ' N ' ' HG3' ' A' ' 86' ' ' MET . 64.0 t80 -56.0 -43.94 78.18 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.007 1.442 . . . . 1.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -139.6 -52.1 0.53 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.007 1.442 . . . . 1.0 109.354 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' ASP . 16.6 m-80 -47.39 -29.7 2.78 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.443 . . . . 1.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 91' ' ' SER . . . -80.22 -71.43 1.27 Allowed Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.309 -1.516 . . . . 1.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 90' ' ' GLY . 11.5 t 162.91 78.67 0.0 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.004 1.061 . . . . 1.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.81 -57.03 0.16 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.035 1.46 . . . . 1.0 109.269 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--N 1.344 0.359 0 O-C-N 125.0 1.438 . . . . 1.0 109.314 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.347 -0.835 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.563 ' CG2' ' CZ ' ' A' ' 39' ' ' TYR . 4.6 m -140.31 21.38 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.045 1.466 . . . . 1.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.59 166.9 3.93 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 125.009 1.443 . . . . 1.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.99 148.39 35.24 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.493 2.795 . . . . 1.0 111.03 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HB3' ' OH ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.0 69.34 5.58 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.472 2.781 . . . . 1.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -140.53 -25.1 0.77 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.045 1.466 . . . . 1.0 109.329 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.455 ' C ' HD13 ' A' ' 11' ' ' LEU . 1.5 t -66.25 -74.1 0.12 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.952 1.408 . . . . 1.0 109.258 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.793 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 52.7 p90 -51.44 -23.43 3.88 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.532 HD11 ' CE2' ' A' ' 8' ' ' TYR . 35.7 mm -67.61 -33.44 62.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.969 1.418 . . . . 1.0 109.357 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.91 3.25 16.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.017 1.448 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.793 ' HB2' ' HA ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -81.76 -42.74 19.34 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.98 1.425 . . . . 1.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 1.1 mp -41.91 -33.66 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.991 1.432 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 m -53.17 -36.48 60.95 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.076 1.485 . . . . 1.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 mtm -81.19 -43.66 18.97 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -57.42 -28.21 63.07 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.974 1.421 . . . . 1.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.534 HD11 ' CE2' ' A' ' 61' ' ' PHE . 35.3 mm -85.47 -50.97 14.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.973 1.421 . . . . 1.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -63.13 -41.84 99.4 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.973 1.421 . . . . 1.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -47.85 -24.85 1.1 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -67.82 114.93 22.97 Favored Pre-proline 0 C--O 1.24 0.571 0 O-C-N 124.971 1.42 . . . . 1.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.51 8.82 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.517 2.811 . . . . 1.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -140.2 -84.53 0.23 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.013 1.446 . . . . 1.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 176.23 35.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.993 1.433 . . . . 1.0 109.37 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 24.5 mttp -144.88 113.39 6.65 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.972 1.42 . . . . 1.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -115.63 130.06 56.72 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.039 1.462 . . . . 1.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.783 HG22 ' O ' ' A' ' 75' ' ' ASN . 40.0 p -90.95 112.99 25.11 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.033 1.458 . . . . 1.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -44.58 -25.9 0.31 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.98 1.425 . . . . 1.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.0 m -64.9 -47.39 77.98 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.005 1.441 . . . . 1.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.43 -19.0 69.84 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.501 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 24.7 mm -75.55 -52.92 17.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.001 1.06 . . . . 1.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.4 p -57.59 -34.79 69.61 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.977 1.423 . . . . 1.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -81.81 -30.56 32.17 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.972 1.42 . . . . 1.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -62.68 -43.55 98.53 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.029 1.456 . . . . 1.0 109.278 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.491 HG23 ' CD2' ' A' ' 37' ' ' PHE . 3.1 mt -71.95 -47.71 54.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.27 -26.34 0.78 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.049 1.468 . . . . 1.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.52 -38.52 91.3 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.943 1.402 . . . . 1.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ILE . 5.6 mmp_? -82.67 -40.86 20.13 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.044 1.465 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.513 ' CZ ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -123.91 81.22 56.32 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.034 1.459 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -37.76 1.94 Allowed 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.488 2.792 . . . . 1.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CZ ' ' CG2' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -79.46 -2.55 42.53 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.959 1.412 . . . . 1.0 109.324 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.744 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 1.1 t80 -85.73 -47.33 9.87 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.974 1.421 . . . . 1.0 109.261 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -74.32 -50.58 18.19 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.972 1.42 . . . . 1.0 109.352 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' CG ' ' HA ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -60.65 -14.47 20.84 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.994 1.434 . . . . 1.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -123.5 16.16 9.63 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.994 1.434 . . . . 1.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.754 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.6 t80 178.77 64.34 0.11 Allowed Pre-proline 0 C--O 1.24 0.605 0 O-C-N 124.988 1.43 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -75.01 -10.41 21.18 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.463 2.775 . . . . 1.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.55 -21.12 61.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.96 1.412 . . . . 1.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.754 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -81.96 0.89 37.96 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.029 1.456 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -56.32 -40.68 74.78 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.964 1.415 . . . . 1.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -82.67 -31.66 28.53 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.002 1.439 . . . . 1.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.8 p -58.93 -53.24 60.62 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.978 1.424 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.493 ' CD1' ' CB ' ' A' ' 8' ' ' TYR . 1.8 tt -57.59 -27.95 30.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.947 1.404 . . . . 1.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -75.9 -35.01 59.97 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.967 1.417 . . . . 1.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -63.97 -57.3 10.14 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.948 1.405 . . . . 1.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -53.56 -26.11 19.99 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.499 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 8.0 tp -72.49 -47.46 48.46 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.994 1.434 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.531 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.2 t -83.11 -13.52 55.49 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.982 1.426 . . . . 1.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.6 mm? -88.04 -19.04 27.66 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.06 1.475 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -88.91 -79.92 0.3 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.021 1.451 . . . . 1.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.638 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -63.6 -48.77 76.01 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.012 1.445 . . . . 1.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 80.59 26.93 0.26 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.034 1.459 . . . . 1.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.663 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -64.78 -168.04 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.968 1.417 . . . . 1.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.12 144.15 18.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.972 1.42 . . . . 1.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -132.31 158.37 42.05 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 1.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.576 ' CD1' ' CE2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -118.39 78.89 14.79 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 125.03 1.456 . . . . 1.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 18.0 Cg_endo -75.06 22.82 0.41 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.484 2.789 . . . . 1.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 64' ' ' ILE . 0.6 OUTLIER 175.53 72.98 0.01 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.012 1.445 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HB3' ' ND2' ' A' ' 70' ' ' ASN . 2.4 tp10 -87.99 126.18 61.96 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.995 1.434 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 51.86 2.9 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.526 2.817 . . . . 1.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.425 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 144.37 68.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.464 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 3.0 m-20 -132.8 63.81 68.76 Favored Pre-proline 0 C--O 1.239 0.535 0 O-C-N 125.013 1.067 . . . . 1.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.99 55.49 3.96 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.528 2.819 . . . . 1.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.27 -90.83 1.31 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.346 -1.502 . . . . 1.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -143.51 -51.29 0.33 Allowed 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.998 1.058 . . . . 1.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.03 -108.75 0.64 Allowed Glycine 0 C--N 1.345 1.079 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.783 ' O ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -141.59 -150.12 0.3 Allowed 'General case' 0 C--O 1.239 0.51 0 O-C-N 124.95 1.029 . . . . 1.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.576 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -153.55 133.07 12.9 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.021 1.45 . . . . 1.0 109.318 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 6.9 m0 -111.65 133.79 53.66 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.036 1.46 . . . . 1.0 109.3 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 75.0 p -104.53 -144.44 0.37 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.037 1.461 . . . . 1.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.663 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -141.96 124.5 15.81 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.015 1.447 . . . . 1.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.533 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -77.98 -51.51 1.7 Allowed Pre-proline 0 C--O 1.239 0.548 0 O-C-N 124.968 1.418 . . . . 1.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.4 Cg_endo -74.98 115.64 4.35 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.548 2.832 . . . . 1.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' HG2' ' CB ' ' A' ' 85' ' ' ASP . 0.9 OUTLIER 79.37 39.0 0.11 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.017 1.448 . . . . 1.0 109.302 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -80.89 -49.42 11.05 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.047 1.467 . . . . 1.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -106.17 33.72 3.69 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.249 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.445 ' CB ' ' HG2' ' A' ' 82' ' ' GLN . 20.1 p-10 -74.31 -47.12 36.63 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.968 1.418 . . . . 1.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.4 ttm -81.15 -68.22 0.71 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.5 p90 174.07 -47.81 0.01 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.954 1.409 . . . . 1.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -150.82 24.98 0.75 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.923 1.389 . . . . 1.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -77.63 -35.68 52.36 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.006 1.442 . . . . 1.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' SER . . . -78.33 -70.36 1.32 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 90' ' ' GLY . 5.7 p 156.32 80.37 0.0 OUTLIER 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.065 1.097 . . . . 1.0 109.254 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -159.04 62.4 0.41 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.041 1.463 . . . . 1.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.536 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.389 0 O-C-N 124.979 1.424 . . . . 1.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HA ' ' CD1' ' A' ' 6' ' ' TYR . 7.8 ttp . . . . . 0 C--O 1.239 0.535 0 CA-C-O 118.427 -0.797 . . . . 1.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.536 HG21 ' CE1' ' A' ' 39' ' ' TYR . 14.7 p -105.69 -47.84 9.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.006 1.441 . . . . 1.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.683 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -141.78 -64.42 0.02 OUTLIER Pre-proline 0 C--O 1.24 0.583 0 O-C-N 124.974 1.421 . . . . 1.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.683 ' HD3' ' HB3' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.02 172.35 16.53 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.496 2.797 . . . . 1.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.52 14.36 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.457 2.771 . . . . 1.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER -79.63 110.79 15.3 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.019 1.45 . . . . 1.0 109.304 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 4.9 m -140.21 127.99 21.84 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.989 1.431 . . . . 1.0 109.234 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' LEU . 37.6 m-85 -81.85 -71.0 0.5 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.996 1.435 . . . . 1.0 109.281 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.458 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -43.59 -29.28 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 125.029 1.456 . . . . 1.0 109.29 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 7' ' ' SER . . . -69.63 -48.86 58.49 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.977 1.423 . . . . 1.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.544 ' HG ' HD12 ' A' ' 12' ' ' ILE . 1.9 pp -78.74 -25.13 44.5 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.544 HD12 ' HG ' ' A' ' 11' ' ' LEU . 1.2 mp -80.28 -41.71 20.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.3 m -51.43 -39.26 57.0 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.046 1.466 . . . . 1.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.4 ptt? -75.35 -31.2 60.47 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.077 1.486 . . . . 1.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.613 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -63.88 -52.47 59.83 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.036 1.46 . . . . 1.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.4 -45.26 93.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 125.019 1.449 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.02 -31.58 70.07 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.038 1.461 . . . . 1.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.579 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -49.63 -22.0 1.19 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.947 1.405 . . . . 1.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -110.65 92.94 15.27 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.967 1.417 . . . . 1.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.02 10.3 1.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.514 2.809 . . . . 1.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -117.06 -79.32 0.59 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.968 1.417 . . . . 1.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HB3' HG23 ' A' ' 78' ' ' THR . 8.7 mttt 163.96 39.54 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 1.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.99 111.12 7.84 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.008 1.442 . . . . 1.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 16' ' ' ILE . 3.6 mt -121.67 117.08 25.79 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.968 1.418 . . . . 1.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 75' ' ' ASN . 15.3 p -101.07 116.81 33.71 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.998 1.436 . . . . 1.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.681 HD11 ' CG ' ' A' ' 52' ' ' ARG . 4.4 tt -47.59 -38.56 14.71 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.964 1.415 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -61.98 -44.69 96.2 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.922 1.389 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -73.71 -39.72 47.67 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.37 -51.31 65.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 125.031 1.077 . . . . 1.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 t -56.35 -51.7 67.29 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.039 1.462 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -65.66 -26.79 67.95 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.007 1.442 . . . . 1.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -69.27 -39.51 78.35 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.518 HD13 ' CE2' ' A' ' 32' ' ' PHE . 39.0 mm -65.28 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.45 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.9 p -48.02 -22.64 0.63 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.033 1.458 . . . . 1.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -59.29 -37.87 78.76 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.007 1.442 . . . . 1.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD2' ' SD ' ' A' ' 14' ' ' MET . 0.6 OUTLIER -136.46 17.69 3.14 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.024 1.453 . . . . 1.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.707 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 2.2 m-85 -141.08 51.0 2.15 Favored Pre-proline 0 C--O 1.24 0.557 0 O-C-N 124.949 1.406 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.707 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -75.04 -47.54 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.524 2.816 . . . . 1.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.536 ' CE1' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -62.66 -18.65 62.73 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.004 1.44 . . . . 1.0 109.314 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 6' ' ' TYR . 1.0 OUTLIER -82.4 -51.59 7.71 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.004 1.44 . . . . 1.0 109.296 -179.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -62.02 -48.11 81.75 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.962 1.414 . . . . 1.0 109.313 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' A' ' 39' ' ' TYR . 10.1 pt-20 -65.88 -18.84 65.61 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.978 1.424 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -93.45 -34.04 13.57 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.996 1.435 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.822 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -149.34 73.53 9.93 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 124.97 1.419 . . . . 1.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -13.11 21.49 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.491 2.794 . . . . 1.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.87 -16.86 42.86 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.03 1.456 . . . . 1.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.822 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -79.85 11.87 3.02 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.981 1.425 . . . . 1.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.29 -50.38 73.11 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.011 1.444 . . . . 1.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 15.8 t-20 -74.64 -36.69 62.89 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.002 1.439 . . . . 1.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -48.06 -42.67 29.19 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.06 1.475 . . . . 1.0 109.324 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 3.1 mt -72.79 -30.16 32.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 125.012 1.445 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.681 ' CG ' HD11 ' A' ' 26' ' ' LEU . 6.7 mtp180 -56.66 -47.06 80.62 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.021 1.451 . . . . 1.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.541 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -57.6 -57.46 12.62 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.996 1.435 . . . . 1.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -32.8 71.58 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.977 1.423 . . . . 1.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.561 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -55.27 -54.56 41.97 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.942 1.401 . . . . 1.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.6 t -77.94 -31.63 51.09 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.02 1.45 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 6.0 mp -82.62 19.74 1.24 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.981 1.425 . . . . 1.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -103.63 -87.11 0.43 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.945 1.403 . . . . 1.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.638 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 9.4 m-20 -85.43 -36.62 20.52 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.985 1.428 . . . . 1.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 22.1 m 90.51 55.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.021 1.451 . . . . 1.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.11 -167.64 0.42 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.037 1.461 . . . . 1.0 109.326 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.9 m -127.94 118.54 48.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.024 1.452 . . . . 1.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.545 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 8.8 ttpp -90.13 146.3 24.4 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.023 1.452 . . . . 1.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 1.1 pt -115.86 79.29 7.83 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.964 1.415 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.43 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -74.97 18.0 0.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.525 2.817 . . . . 1.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 175.56 84.45 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.947 1.405 . . . . 1.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.68 146.4 35.92 Favored Pre-proline 0 C--O 1.24 0.598 0 O-C-N 124.988 1.43 . . . . 1.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 47.82 1.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.552 2.835 . . . . 1.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.46 49.17 0.09 OUTLIER Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.285 -1.526 . . . . 1.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -139.98 130.49 14.08 Favored Pre-proline 0 C--O 1.24 0.565 0 O-C-N 124.978 1.046 . . . . 1.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.95 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.503 2.802 . . . . 1.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.07 68.12 0.48 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.308 -1.517 . . . . 1.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -140.3 -57.84 0.54 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.041 1.083 . . . . 1.0 109.343 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -135.99 -141.02 4.26 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.322 -1.511 . . . . 1.0 109.322 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.562 ' O ' HG22 ' A' ' 25' ' ' THR . 15.2 m-80 -158.17 -173.26 4.25 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.99 1.053 . . . . 1.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.418 ' CD2' HD11 ' A' ' 64' ' ' ILE . 6.1 m-85 -133.79 95.99 3.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.962 1.414 . . . . 1.0 109.245 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.554 ' CZ2' HD12 ' A' ' 26' ' ' LEU . 7.3 m0 -83.02 129.52 35.04 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.042 1.464 . . . . 1.0 109.306 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 22' ' ' LYS . 27.2 m -124.86 143.41 50.85 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.986 1.429 . . . . 1.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.64 121.55 17.35 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.005 1.44 . . . . 1.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.604 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 1.3 t0 -78.51 -47.86 1.88 Allowed Pre-proline 0 C--O 1.24 0.573 0 O-C-N 125.031 1.457 . . . . 1.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.3 Cg_endo -74.97 113.8 3.88 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.51 2.807 . . . . 1.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 81' ' ' PRO . 5.8 mm-40 75.29 42.63 0.23 Allowed 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.041 1.463 . . . . 1.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.7 p -78.18 -50.56 11.71 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 1.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.21 -39.36 82.42 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.016 1.447 . . . . 1.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -48.01 80.17 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.993 1.433 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -36.83 24.53 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.435 . . . . 1.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 87' ' ' PHE . 31.1 t80 -101.91 30.05 4.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.023 1.452 . . . . 1.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 t70 179.34 53.71 0.0 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.984 1.427 . . . . 1.0 109.259 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.05 -48.78 12.74 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.968 1.417 . . . . 1.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.01 -57.39 3.04 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.4 p 57.31 48.65 14.56 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.007 1.063 . . . . 1.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -134.79 -57.89 0.82 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.006 1.441 . . . . 1.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.345 0.405 0 O-C-N 125.025 1.453 . . . . 1.0 109.321 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.508 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.596 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.297 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.594 HG21 ' CG ' ' A' ' 39' ' ' TYR . 0.9 OUTLIER 49.49 16.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.974 1.421 . . . . 1.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -34.61 94.8 0.08 OUTLIER Pre-proline 0 C--O 1.24 0.562 0 O-C-N 125.029 1.455 . . . . 1.0 109.252 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.544 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 18.1 Cg_endo -75.08 118.91 5.41 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.497 2.798 . . . . 1.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 101.97 1.53 Allowed 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.529 2.819 . . . . 1.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.52 ' CE2' HD12 ' A' ' 11' ' ' LEU . 2.7 p90 -138.45 -176.39 4.45 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.0 1.437 . . . . 1.0 109.348 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.23 137.23 53.79 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.997 1.436 . . . . 1.0 109.311 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -63.8 -61.73 2.11 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.975 1.422 . . . . 1.0 109.297 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.73 ' O ' HG23 ' A' ' 13' ' ' THR . 41.6 pt -55.53 -44.42 76.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.007 1.442 . . . . 1.0 109.293 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -55.58 -27.89 51.89 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.008 1.443 . . . . 1.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' A' ' 37' ' ' PHE . 7.1 tt -82.4 -53.03 6.33 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.423 . . . . 1.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.9 mm -48.5 -47.36 14.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.991 1.432 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 9' ' ' ILE . 26.8 p -42.95 -36.0 1.4 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.001 1.438 . . . . 1.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -35.9 28.26 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.974 1.421 . . . . 1.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -64.0 -44.39 92.8 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.955 1.409 . . . . 1.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.502 HD11 ' CD1' ' A' ' 79' ' ' LEU . 5.9 tp -59.1 -45.85 92.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.027 1.455 . . . . 1.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -34.2 10.96 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.011 1.444 . . . . 1.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 20.4 mm100 -47.24 -32.99 5.01 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.028 1.455 . . . . 1.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.432 ' OG ' ' HG ' ' A' ' 24' ' ' LEU . 93.9 p -114.25 86.99 12.66 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.0 1.437 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.97 19.46 0.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.486 2.791 . . . . 1.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 mm-40 -128.46 -87.52 0.55 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.96 1.413 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -178.71 41.27 0.0 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.009 1.443 . . . . 1.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -140.32 103.1 4.5 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.99 1.432 . . . . 1.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' CD2' HD11 ' A' ' 29' ' ' ILE . 6.6 mt -106.14 132.82 51.76 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.009 1.443 . . . . 1.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 75' ' ' ASN . 69.9 p -120.47 93.94 4.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.946 1.404 . . . . 1.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 55' ' ' LEU . 2.5 tm? -42.84 -34.58 0.97 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.033 1.458 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.2 p -58.99 -46.75 87.38 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.995 1.434 . . . . 1.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -73.63 -39.75 48.22 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.288 -1.525 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.495 HD11 ' CD2' ' A' ' 24' ' ' LEU . 1.8 mp -56.02 -44.66 79.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 125.002 1.06 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.403 ' SG ' ' OE1' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -58.62 -43.98 89.82 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.01 1.443 . . . . 1.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.12 -31.49 72.38 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.964 1.415 . . . . 1.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.513 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -70.49 -49.88 43.77 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.957 1.411 . . . . 1.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.513 HG13 ' CE2' ' A' ' 32' ' ' PHE . 1.9 mt -64.08 -53.49 43.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 O-C-N 124.993 1.433 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.4 m -44.37 -33.03 1.5 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.952 1.408 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -79.41 -37.77 36.38 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.993 1.433 . . . . 1.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 4.3 mpt_? -74.7 -43.77 53.49 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.994 1.434 . . . . 1.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CE1' HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -128.77 83.33 66.52 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.56 5.27 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.563 2.842 . . . . 1.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.594 ' CG ' HG21 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -75.38 -28.35 59.46 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.989 1.431 . . . . 1.0 109.274 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.606 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -61.61 -54.61 40.6 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.0 1.438 . . . . 1.0 109.284 -179.304 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -32.93 72.05 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.97 1.419 . . . . 1.0 109.298 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.47 -5.59 58.79 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.062 1.476 . . . . 1.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 1' ' ' MET . 12.8 ttpp -109.04 -47.71 3.39 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.979 1.424 . . . . 1.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.774 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -135.71 74.58 58.39 Favored Pre-proline 0 C--O 1.24 0.596 0 O-C-N 125.016 1.447 . . . . 1.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -10.92 21.26 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.492 2.794 . . . . 1.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.47 -9.99 59.59 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.97 1.419 . . . . 1.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.774 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -87.03 18.46 3.57 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.028 1.455 . . . . 1.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.5 tp60 -61.45 -48.63 80.28 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.987 1.429 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 9.5 t-20 -83.72 -27.77 28.73 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.944 1.403 . . . . 1.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -54.74 -47.98 73.15 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.013 1.446 . . . . 1.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 48' ' ' GLN . 7.8 tt -65.1 -34.16 68.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.959 1.412 . . . . 1.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.57 -48.16 81.85 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.977 1.423 . . . . 1.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.455 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.1 t60 -52.91 -48.71 67.03 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.998 1.437 . . . . 1.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 58' ' ' ASN . 22.7 m120 -72.55 -29.7 63.8 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.043 1.464 . . . . 1.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.597 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -54.72 -52.67 61.74 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.019 1.45 . . . . 1.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -76.57 -31.6 57.64 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.013 1.445 . . . . 1.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 53' ' ' HIS . 4.5 mm? -84.86 12.23 7.81 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.971 1.419 . . . . 1.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.464 ' ND2' ' CG2' ' A' ' 12' ' ' ILE . 13.2 t30 -97.27 -77.88 0.49 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.952 1.408 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.752 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.2 m-20 -75.79 -60.6 2.24 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.993 1.433 . . . . 1.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.685 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 21.7 p 128.55 44.25 0.0 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.997 1.435 . . . . 1.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.752 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -104.63 179.83 4.16 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.997 1.436 . . . . 1.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -121.77 164.15 19.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.98 1.425 . . . . 1.0 109.268 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.08 163.88 19.67 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.982 1.426 . . . . 1.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pp -114.07 85.45 10.15 Favored Pre-proline 0 C--O 1.239 0.533 0 O-C-N 124.982 1.426 . . . . 1.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.01 44.68 1.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.515 2.81 . . . . 1.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER 175.31 86.1 0.0 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.93 110.52 4.26 Favored Pre-proline 0 C--O 1.24 0.583 0 O-C-N 124.999 1.437 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.98 14.94 0.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.517 2.811 . . . . 1.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.16 79.19 0.03 OUTLIER Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.329 -1.508 . . . . 1.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.41 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 18.2 m-20 -123.52 162.93 37.53 Favored Pre-proline 0 C--O 1.24 0.584 0 O-C-N 124.978 1.046 . . . . 1.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 70' ' ' ASN . 18.2 Cg_endo -75.01 -25.18 12.09 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.53 2.82 . . . . 1.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.41 60.84 0.6 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.296 -1.522 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.48 -76.47 0.58 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.995 1.056 . . . . 1.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.3 -127.92 2.07 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.292 -1.523 . . . . 1.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.611 ' O ' HG22 ' A' ' 25' ' ' THR . 7.5 m120 -137.38 -175.45 4.07 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.026 1.074 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 23' ' ' LYS . 8.3 m-85 -134.91 101.92 5.06 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.982 1.426 . . . . 1.0 109.318 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.533 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 8.3 m0 -93.21 141.95 27.85 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.009 1.443 . . . . 1.0 109.27 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 41.5 p -121.62 145.99 47.44 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.038 1.461 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.528 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -85.6 146.08 27.04 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.983 1.427 . . . . 1.0 109.268 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.659 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -72.24 -44.68 10.62 Favored Pre-proline 0 C--O 1.24 0.557 0 O-C-N 124.965 1.416 . . . . 1.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.3 Cg_endo -75.03 5.06 4.22 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.454 2.769 . . . . 1.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.99 -42.88 3.31 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.008 1.443 . . . . 1.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' A' ' 86' ' ' MET . 34.7 t -64.53 -56.4 14.32 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.966 1.416 . . . . 1.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' OE1' ' OD1' ' A' ' 80' ' ' ASP . 7.7 pt-20 -57.79 -31.96 67.06 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.976 1.423 . . . . 1.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.504 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 5.9 m-20 -59.71 -52.7 64.38 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.997 1.436 . . . . 1.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.438 ' HG3' ' O ' ' A' ' 83' ' ' SER . 0.1 OUTLIER -69.39 -4.32 17.91 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.975 1.422 . . . . 1.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.53 -35.71 27.03 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.991 1.432 . . . . 1.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -94.92 -67.74 0.84 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.058 1.474 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 85' ' ' ASP . 3.1 p30 -69.06 -45.64 69.85 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.016 1.448 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.92 -16.33 51.87 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 t -93.22 -56.61 2.89 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.007 1.063 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.18 -63.18 1.28 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.973 1.421 . . . . 1.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.396 0 O-C-N 124.959 1.412 . . . . 1.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.622 0 CA-C-O 118.387 -0.816 . . . . 1.0 109.302 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.535 HG13 ' CE2' ' A' ' 40' ' ' TYR . 10.7 t 72.09 48.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 124.992 1.432 . . . . 1.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.58 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.8 OUTLIER -89.44 -61.22 0.23 Allowed Pre-proline 0 C--O 1.24 0.557 0 O-C-N 124.961 1.413 . . . . 1.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -74.99 175.61 11.0 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.532 2.821 . . . . 1.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -74.98 -165.28 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.493 2.796 . . . . 1.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.88 147.04 41.88 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.041 1.463 . . . . 1.0 109.309 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.4 96.69 4.5 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.016 1.447 . . . . 1.0 109.337 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.495 ' CE1' HG22 ' A' ' 51' ' ' ILE . 47.1 m-85 -64.64 -42.93 95.11 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.993 1.433 . . . . 1.0 109.265 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 13' ' ' THR . 39.3 pt -49.23 -38.63 11.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.986 1.429 . . . . 1.0 109.294 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.96 -26.7 39.91 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -50.16 12.29 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.03 1.456 . . . . 1.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.7 mp -53.94 -54.45 20.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.966 1.416 . . . . 1.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 9' ' ' ILE . 8.2 p -44.44 -35.04 2.25 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.038 1.461 . . . . 1.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.419 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.4 tmm? -82.4 -30.07 30.44 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.019 1.45 . . . . 1.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -76.51 -33.34 58.63 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.033 1.458 . . . . 1.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.451 HD11 ' CE2' ' A' ' 61' ' ' PHE . 48.4 mm -64.24 -45.56 95.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 125.006 1.441 . . . . 1.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -59.88 -29.49 68.35 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.986 1.429 . . . . 1.0 109.27 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 28.3 mm-40 -42.35 -34.43 0.8 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.025 1.453 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 23' ' ' LYS . 14.7 m -109.77 101.17 45.77 Favored Pre-proline 0 C--O 1.24 0.59 0 O-C-N 125.009 1.443 . . . . 1.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 12.52 1.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.485 2.79 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.7 mt-30 -118.89 -85.83 0.65 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.974 1.421 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.563 ' O ' HG22 ' A' ' 78' ' ' THR . 3.9 ttpp 174.64 41.1 0.0 OUTLIER 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.984 1.427 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' A' ' 19' ' ' SER . 4.8 mtmm -140.94 106.82 5.14 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.98 1.425 . . . . 1.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 2.2 mt -115.97 121.09 41.24 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.039 1.462 . . . . 1.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 75' ' ' ASN . 25.8 p -102.05 105.91 16.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.998 1.436 . . . . 1.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 3.8 tt -42.86 -35.52 1.21 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.016 1.447 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.9 p -58.58 -48.78 79.78 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.443 . . . . 1.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -16.21 80.89 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.476 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 6.1 mm -79.31 -54.1 12.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 125.014 1.067 . . . . 1.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.5 p -55.59 -41.36 73.28 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.023 1.452 . . . . 1.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -74.0 -27.48 60.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.016 1.448 . . . . 1.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -66.12 -38.94 89.4 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.962 1.413 . . . . 1.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' A' ' 37' ' ' PHE . 2.8 mt -70.19 -57.03 9.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 125.017 1.448 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.474 ' HB2' ' CD ' ' A' ' 41' ' ' ARG . 92.2 p -44.39 -29.49 0.69 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.982 1.426 . . . . 1.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 76.1 m-20 -61.14 -44.29 97.56 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.007 1.442 . . . . 1.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.591 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 31.5 mmt-85 -78.68 -40.8 32.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.039 1.462 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -130.26 81.21 68.97 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 125.017 1.448 . . . . 1.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -25.79 11.48 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.492 2.795 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.51 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 33.3 p90 -81.74 -15.42 54.39 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.991 1.432 . . . . 1.0 109.33 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' CE2' HG13 ' A' ' 2' ' ' VAL . 1.4 t80 -80.81 -50.95 9.18 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.978 1.424 . . . . 1.0 109.291 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.474 ' CD ' ' HB2' ' A' ' 34' ' ' SER . 0.0 OUTLIER -57.26 -35.27 69.54 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.985 1.428 . . . . 1.0 109.332 -179.573 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.492 ' CG ' ' HA ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -84.1 -6.79 59.46 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.993 1.433 . . . . 1.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 4.6 mmtp -114.78 11.04 16.67 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.959 1.412 . . . . 1.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.826 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.9 t80 179.43 68.16 0.13 Allowed Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.998 1.436 . . . . 1.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.36 20.36 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.492 2.795 . . . . 1.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.59 -15.4 63.52 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.826 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -84.24 4.88 28.83 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.986 1.429 . . . . 1.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.433 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -56.38 -47.97 77.83 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.987 1.43 . . . . 1.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -82.28 -25.31 34.15 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.954 1.409 . . . . 1.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.526 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 8.3 t -56.6 -50.87 70.7 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.983 1.427 . . . . 1.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.495 HG22 ' CE1' ' A' ' 8' ' ' TYR . 29.1 pt -57.74 -40.84 77.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.93 1.394 . . . . 1.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.44 ' N ' HG13 ' A' ' 51' ' ' ILE . 12.0 ttm180 -60.02 -47.66 84.92 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.036 1.46 . . . . 1.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -53.91 -52.14 61.5 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 1.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 3.1 t-20 -69.7 -26.36 64.32 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.971 1.419 . . . . 1.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.598 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -55.02 -53.67 52.89 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.001 1.438 . . . . 1.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 t -79.05 -24.95 43.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.017 1.448 . . . . 1.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -83.59 21.39 1.23 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.013 1.445 . . . . 1.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 2.8 m-80 -112.26 -85.54 0.57 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.058 1.474 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.672 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -84.64 -22.66 29.82 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.006 1.442 . . . . 1.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 1.4 m 74.87 41.76 0.3 Allowed 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.963 1.414 . . . . 1.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.672 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -77.43 -176.99 4.45 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.068 1.48 . . . . 1.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -108.96 127.03 65.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 O-C-N 124.949 1.406 . . . . 1.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -113.99 150.5 33.76 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.003 1.439 . . . . 1.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 67' ' ' GLU . 1.8 pp -99.68 106.03 37.68 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 124.974 1.421 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.493 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -4.69 15.77 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.494 2.796 . . . . 1.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 17.3 ttt180 170.6 85.04 0.0 OUTLIER 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.967 1.417 . . . . 1.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.509 ' HB2' HD13 ' A' ' 64' ' ' ILE . 2.9 tp10 -83.32 134.82 44.93 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.001 1.438 . . . . 1.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -75.01 56.63 4.32 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.49 2.793 . . . . 1.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.576 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 129.5 74.94 0.16 Allowed Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.319 -1.512 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.65 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 7.8 t30 -128.15 58.34 33.23 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 124.953 1.031 . . . . 1.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.5 Cg_endo -74.98 59.85 5.28 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.564 2.843 . . . . 1.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.1 -92.93 2.27 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HG3' HG21 ' A' ' 25' ' ' THR . 0.1 OUTLIER -143.92 -48.42 0.28 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.039 1.082 . . . . 1.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.492 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -139.49 -109.93 0.87 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.301 -1.52 . . . . 1.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.833 ' O ' HG22 ' A' ' 25' ' ' THR . 1.3 m120 -115.64 -161.57 0.79 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.991 1.053 . . . . 1.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.619 ' CE2' ' OD1' ' A' ' 70' ' ' ASN . 25.9 m-85 -142.45 103.69 4.29 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.974 1.421 . . . . 1.0 109.28 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.57 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 8.3 m95 -105.76 115.26 29.93 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.043 1.464 . . . . 1.0 109.265 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 22' ' ' LYS . 72.7 p -117.52 142.55 47.03 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.011 1.444 . . . . 1.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.563 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 2.5 mp -70.93 124.83 25.26 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.024 1.452 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.559 ' CB ' ' HD3' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -84.51 -53.59 0.5 Allowed Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.959 1.412 . . . . 1.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.559 ' HD3' ' CB ' ' A' ' 80' ' ' ASP . 18.4 Cg_endo -74.91 108.74 2.78 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.537 2.825 . . . . 1.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 76.42 46.34 0.09 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.027 1.454 . . . . 1.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -76.96 -43.82 33.62 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.948 1.405 . . . . 1.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 83' ' ' SER . 6.6 tt0 92.89 -21.79 0.08 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.948 1.405 . . . . 1.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 89' ' ' ASN . 8.1 t70 -80.09 -53.82 6.34 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.992 1.433 . . . . 1.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 tpp -49.44 -33.62 14.56 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.039 1.462 . . . . 1.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -54.47 -41.39 69.46 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.989 1.431 . . . . 1.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.83 53.53 1.31 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.039 1.462 . . . . 1.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.6 p30 -59.4 -46.42 88.73 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.041 1.463 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.45 ' HA3' ' CD2' ' A' ' 93' ' ' LEU . . . -80.06 -56.04 3.37 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.286 -1.526 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 t 74.47 58.31 0.08 Allowed 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.024 1.073 . . . . 1.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 93' ' ' LEU . 23.5 t80 72.68 65.85 0.12 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.994 1.434 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.45 ' CD2' ' HA3' ' A' ' 90' ' ' GLY . 4.5 mm? . . . . . 0 C--N 1.345 0.403 0 O-C-N 125.007 1.442 . . . . 1.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 C--O 1.24 0.579 0 CA-C-O 118.371 -0.823 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.541 HG21 ' CE2' ' A' ' 39' ' ' TYR . 21.6 m -103.56 -28.66 2.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 124.991 1.432 . . . . 1.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.679 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 3.7 ttmt 177.69 -55.94 0.0 OUTLIER Pre-proline 0 C--O 1.239 0.548 0 O-C-N 124.994 1.434 . . . . 1.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.07 158.95 41.66 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.516 2.811 . . . . 1.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 58.8 4.98 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.494 2.796 . . . . 1.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -85.05 162.26 19.4 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.974 1.421 . . . . 1.0 109.322 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.01 163.98 27.2 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.984 1.428 . . . . 1.0 109.299 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -80.59 -58.82 2.93 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.017 1.448 . . . . 1.0 109.273 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -45.26 -38.83 2.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 125.004 1.44 . . . . 1.0 109.32 -179.528 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -66.45 -37.66 85.63 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.977 1.423 . . . . 1.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 1.8 mm? -73.86 -47.18 40.08 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.433 . . . . 1.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.8 mp -60.69 -40.97 86.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.983 1.427 . . . . 1.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -42.13 -44.61 3.72 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.945 1.403 . . . . 1.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.1 ttp -82.03 -30.21 31.57 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.514 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -60.39 -38.97 85.63 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.984 1.428 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -78.68 -45.16 25.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.994 1.434 . . . . 1.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.44 -30.56 5.22 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.96 1.413 . . . . 1.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -45.94 -29.07 1.28 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.05 1.469 . . . . 1.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.435 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 89.3 p -114.56 87.62 14.54 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 124.989 1.431 . . . . 1.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.71 8.58 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.502 2.802 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -87.56 0.49 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.976 1.422 . . . . 1.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.82 39.28 0.0 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.037 1.46 . . . . 1.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 8.3 tttt -139.91 111.91 7.52 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.956 1.41 . . . . 1.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -122.66 137.68 54.83 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.025 1.453 . . . . 1.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.976 HG22 ' O ' ' A' ' 75' ' ' ASN . 81.3 p -123.66 105.47 9.74 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 2.9 tm? -47.53 -39.74 17.03 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.014 1.446 . . . . 1.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.7 p -62.14 -40.92 97.58 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.994 1.434 . . . . 1.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.43 -20.92 65.57 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.257 -1.537 . . . . 1.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.4 mm -77.28 -51.8 17.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 124.954 1.032 . . . . 1.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.7 p -57.8 -36.97 72.94 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.012 1.445 . . . . 1.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.05 -34.0 70.82 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.01 1.444 . . . . 1.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.62 -51.91 65.45 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.004 1.44 . . . . 1.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.538 HG13 ' CE2' ' A' ' 32' ' ' PHE . 2.4 mt -60.37 -29.64 44.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.964 1.415 . . . . 1.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 p -71.24 -35.44 71.46 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.004 1.44 . . . . 1.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.28 -40.9 25.98 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.928 1.393 . . . . 1.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.544 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 3.6 tpt180 -75.88 -52.07 11.13 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.976 1.423 . . . . 1.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -119.03 80.19 18.43 Favored Pre-proline 0 C--O 1.24 0.591 0 O-C-N 125.021 1.451 . . . . 1.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.0 -34.46 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.526 2.817 . . . . 1.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.541 ' CE2' HG21 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -76.8 -16.47 59.44 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.051 1.469 . . . . 1.0 109.317 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.673 ' CE1' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -75.88 -51.63 12.08 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.023 1.452 . . . . 1.0 109.292 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -77.29 -35.79 54.76 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.942 1.401 . . . . 1.0 109.297 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 1.7 tt0 -58.7 -21.0 53.57 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.987 1.429 . . . . 1.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -106.76 -29.21 9.69 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.004 1.44 . . . . 1.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.725 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -134.53 70.0 72.4 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 124.99 1.432 . . . . 1.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.25 20.69 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.514 2.809 . . . . 1.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.86 -24.94 33.02 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 1.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -74.06 -7.73 53.55 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.001 1.438 . . . . 1.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.43 ' O ' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.2 -34.56 32.34 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.009 1.443 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -83.88 -35.16 24.33 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.024 1.452 . . . . 1.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -52.54 65.3 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.963 1.414 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -48.22 -39.19 8.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.985 1.428 . . . . 1.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -66.67 -39.93 88.38 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.952 1.407 . . . . 1.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -62.56 -54.82 33.99 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.055 1.472 . . . . 1.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 35.6 t-20 -63.4 -31.95 73.24 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.99 1.431 . . . . 1.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.579 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 45.8 tp -56.56 -54.08 50.1 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.991 1.432 . . . . 1.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.543 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.3 t -74.5 -26.02 59.74 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.995 1.435 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.53 13.87 6.32 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.964 1.415 . . . . 1.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.457 ' OD1' ' OD2' ' A' ' 59' ' ' ASP . 15.5 t-20 -101.16 -84.18 0.44 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.975 1.422 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.604 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 16.3 m-20 -80.25 -20.84 43.59 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.001 1.438 . . . . 1.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 1.5 m 73.41 35.46 0.89 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.944 1.403 . . . . 1.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.685 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -72.76 -173.79 1.28 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.005 1.441 . . . . 1.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -108.44 155.24 9.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 125.002 1.439 . . . . 1.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.571 ' CB ' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.8 160.37 31.08 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.984 1.427 . . . . 1.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.573 ' CD1' ' CD2' ' A' ' 76' ' ' TYR . 18.5 mt -97.18 107.86 40.7 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.969 1.418 . . . . 1.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.02 -21.74 15.5 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.48 2.787 . . . . 1.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 174.53 77.2 0.0 OUTLIER 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.029 1.456 . . . . 1.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 68' ' ' PRO . 5.3 tp10 -68.13 138.58 92.26 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.956 1.41 . . . . 1.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' N ' ' HG3' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -74.94 72.0 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.558 2.839 . . . . 1.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.13 -42.88 0.1 OUTLIER Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.271 -1.532 . . . . 1.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -72.12 123.49 89.55 Favored Pre-proline 0 C--O 1.24 0.575 0 O-C-N 124.981 1.048 . . . . 1.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.67 17.59 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.504 2.803 . . . . 1.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.65 75.22 0.08 OUTLIER Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.265 -1.534 . . . . 1.0 109.265 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -132.64 -70.39 0.55 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.006 1.062 . . . . 1.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.55 -155.73 6.54 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.976 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER -138.72 -175.21 4.06 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.041 . . . . 1.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.573 ' CD2' ' CD1' ' A' ' 64' ' ' ILE . 5.5 m-85 -132.76 83.73 2.09 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.964 1.415 . . . . 1.0 109.312 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.571 ' CE2' ' CB ' ' A' ' 63' ' ' LYS . 9.2 m0 -80.72 135.44 36.0 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.99 1.431 . . . . 1.0 109.298 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.555 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 45.6 p -107.56 -150.34 0.45 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.994 1.433 . . . . 1.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.685 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -144.12 108.19 4.75 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.943 1.402 . . . . 1.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 1.4 p30 -121.76 114.39 31.25 Favored Pre-proline 0 C--O 1.24 0.577 0 O-C-N 124.984 1.427 . . . . 1.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.48 15.8 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.555 2.837 . . . . 1.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 83' ' ' SER . 17.5 pt20 -53.8 -45.57 70.81 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.966 1.416 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 60' ' ' CYS . 37.8 m -59.75 -50.87 72.13 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.941 1.401 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -56.15 -42.49 77.06 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.039 1.462 . . . . 1.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.74 25.13 0.95 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.026 1.454 . . . . 1.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.504 ' HG3' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -39.99 -35.85 0.41 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.962 1.414 . . . . 1.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CE1' ' HG3' ' A' ' 86' ' ' MET . 0.7 OUTLIER 174.52 68.71 0.0 OUTLIER 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.96 1.413 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER 79.96 -0.96 2.08 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.935 1.397 . . . . 1.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' HB2' ' CG ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -81.05 -5.05 57.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.988 1.43 . . . . 1.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . -80.13 -69.25 1.41 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.64 74.09 0.0 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.987 1.051 . . . . 1.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -58.68 3.14 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 124.968 1.417 . . . . 1.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.345 0.376 0 O-C-N 124.965 1.415 . . . . 1.0 109.227 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mmm . . . . . 0 C--O 1.24 0.576 0 CA-C-O 118.381 -0.819 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.437 HG11 ' CB ' ' A' ' 39' ' ' TYR . 12.8 p -175.38 -42.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.044 1.465 . . . . 1.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.478 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -34.52 -56.76 0.78 Allowed Pre-proline 0 C--O 1.24 0.566 0 O-C-N 124.986 1.429 . . . . 1.0 109.319 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -74.97 114.1 3.95 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.552 2.835 . . . . 1.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.11 2.41 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.45 2.766 . . . . 1.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CD1' HD21 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -118.03 -171.02 1.99 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.017 1.448 . . . . 1.0 109.304 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 1.5 m -110.08 170.54 8.01 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.982 1.426 . . . . 1.0 109.3 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.601 ' CG ' ' ND2' ' A' ' 54' ' ' ASN . 88.1 m-85 -58.36 -40.47 82.3 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.983 1.427 . . . . 1.0 109.298 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -54.12 -35.27 28.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.968 1.417 . . . . 1.0 109.279 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 6' ' ' TYR . . . -68.49 -36.65 79.23 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.986 1.429 . . . . 1.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.536 HD12 ' CE2' ' A' ' 37' ' ' PHE . 3.3 mm? -71.35 -44.24 65.43 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.033 1.458 . . . . 1.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' ALA . 40.5 mm -62.29 -51.49 71.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 124.993 1.433 . . . . 1.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -40.17 -42.18 1.42 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.951 1.407 . . . . 1.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 36' ' ' ARG . 7.8 ttp -80.01 -36.49 35.84 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.974 1.422 . . . . 1.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . . . -64.06 -59.14 4.83 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.035 1.459 . . . . 1.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.508 HD12 ' CD2' ' A' ' 24' ' ' LEU . 8.6 tp -53.84 -38.49 36.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.553 0 O-C-N 124.989 1.431 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.96 -39.75 93.21 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.035 1.459 . . . . 1.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -49.66 -25.18 2.66 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.034 1.459 . . . . 1.0 109.251 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.449 ' OG ' HD13 ' A' ' 24' ' ' LEU . 30.2 m -115.21 83.4 10.09 Favored Pre-proline 0 C--O 1.24 0.592 0 O-C-N 124.961 1.413 . . . . 1.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.02 12.63 1.18 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.528 2.819 . . . . 1.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -109.34 -79.34 0.58 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.989 1.431 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 3.0 pttt 163.49 48.61 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.024 1.453 . . . . 1.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -143.3 107.88 4.84 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.001 1.438 . . . . 1.0 109.286 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' CD2' HD12 ' A' ' 16' ' ' ILE . 2.7 mm? -126.18 101.88 6.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.984 1.427 . . . . 1.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.954 HG22 ' O ' ' A' ' 75' ' ' ASN . 29.0 p -85.46 108.13 17.74 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.003 1.439 . . . . 1.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.504 HD12 ' CH2' ' A' ' 77' ' ' TRP . 7.4 tt -42.1 -33.12 0.54 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.02 1.45 . . . . 1.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 m -64.68 -44.45 90.3 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.982 1.426 . . . . 1.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.26 -20.65 74.85 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 109.301 -1.519 . . . . 1.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 4.9 mm -63.18 -51.97 64.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 124.989 1.052 . . . . 1.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.7 t -64.88 -47.73 76.8 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.997 1.436 . . . . 1.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 35' ' ' ASN . 2.2 pt-20 -65.21 -29.97 70.82 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.041 1.463 . . . . 1.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 15' ' ' ALA . 2.1 t80 -62.21 -50.03 73.39 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 124.982 1.427 . . . . 1.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 51' ' ' ILE . 1.3 mt -63.51 -16.69 18.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.989 1.43 . . . . 1.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -41.13 18.24 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.967 1.417 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.548 ' OD1' ' HA ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -85.68 16.69 3.77 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.015 1.447 . . . . 1.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' CE ' ' A' ' 14' ' ' MET . 11.9 mmt-85 -141.35 -47.49 0.39 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.014 1.446 . . . . 1.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.536 ' CE2' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -129.64 74.09 81.03 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 124.97 1.419 . . . . 1.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -34.79 3.66 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.523 2.815 . . . . 1.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CB ' HG11 ' A' ' 2' ' ' VAL . 15.3 m-85 -55.1 -29.41 57.58 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.941 1.401 . . . . 1.0 109.272 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.468 ' CE2' ' CE1' ' A' ' 6' ' ' TYR . 4.5 m-85 -79.45 -52.2 8.36 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.022 1.451 . . . . 1.0 109.341 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -53.86 -46.55 71.32 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.038 1.461 . . . . 1.0 109.309 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -29.59 69.86 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -43.79 13.37 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.003 1.44 . . . . 1.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 2.3 t80 -146.0 88.79 6.25 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.973 1.421 . . . . 1.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 11.56 1.4 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.492 2.795 . . . . 1.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -85.87 26.95 0.92 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.968 1.417 . . . . 1.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 96.8 m95 -68.19 -56.23 9.48 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.946 1.404 . . . . 1.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 3.4 tm0? -40.75 -28.16 0.07 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.963 1.415 . . . . 1.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -80.43 -49.36 11.54 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.991 1.432 . . . . 1.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.467 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 27.9 m -82.07 -64.48 1.17 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.966 1.416 . . . . 1.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.566 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.5 tp -39.78 -38.7 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.986 1.429 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 29.8 ttt-85 -60.05 -50.12 74.96 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.066 1.479 . . . . 1.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.455 ' C ' HD23 ' A' ' 57' ' ' LEU . 10.1 m-70 -70.66 -54.83 10.4 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.011 1.444 . . . . 1.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.601 ' ND2' ' CG ' ' A' ' 8' ' ' TYR . 62.3 m-80 -53.81 -44.89 70.58 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.969 1.418 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.698 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 10.6 tp -54.09 -52.65 60.3 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.969 1.418 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.4 p -68.65 -40.32 80.27 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.031 1.457 . . . . 1.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -88.39 25.47 1.66 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.031 1.457 . . . . 1.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.51 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 9.4 t-20 -106.45 -85.22 0.5 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.437 . . . . 1.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.573 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 75.5 m-20 -82.06 -26.75 33.42 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.991 1.432 . . . . 1.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 63.4 m 80.81 40.47 0.06 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.02 1.45 . . . . 1.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -77.26 -173.87 3.01 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.058 1.474 . . . . 1.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 70.9 t -106.85 140.94 23.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 O-C-N 124.972 1.42 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.641 ' CB ' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -115.71 138.06 51.48 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.995 1.434 . . . . 1.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -76.01 123.36 88.11 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.953 1.408 . . . . 1.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 45.37 1.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.466 2.778 . . . . 1.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 58.21 70.78 0.62 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.985 1.428 . . . . 1.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -74.15 141.64 77.97 Favored Pre-proline 0 C--O 1.239 0.54 0 O-C-N 125.016 1.448 . . . . 1.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -74.97 54.27 3.58 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.47 2.78 . . . . 1.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.9 46.6 0.06 OUTLIER Glycine 0 C--N 1.346 1.085 0 N-CA-C 109.248 -1.541 . . . . 1.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.615 ' OD1' ' CZ ' ' A' ' 76' ' ' TYR . 19.3 t30 -138.31 58.56 15.12 Favored Pre-proline 0 C--O 1.24 0.564 0 O-C-N 124.992 1.054 . . . . 1.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.98 65.23 6.05 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.539 2.826 . . . . 1.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.53 -91.16 1.72 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.323 -1.511 . . . . 1.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.25 -50.15 0.33 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.009 1.064 . . . . 1.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.485 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -140.29 -110.21 0.85 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 109.311 -1.516 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.954 ' O ' HG22 ' A' ' 25' ' ' THR . 58.8 m-80 -123.98 -172.0 2.44 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.027 1.075 . . . . 1.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CZ ' ' OD1' ' A' ' 70' ' ' ASN . 20.5 m-85 -127.77 75.4 1.6 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.956 1.41 . . . . 1.0 109.285 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.641 ' CE2' ' CB ' ' A' ' 63' ' ' LYS . 11.3 m0 -74.45 130.56 39.86 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.99 1.432 . . . . 1.0 109.302 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.577 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -140.47 150.32 43.64 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.001 1.438 . . . . 1.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.503 ' CD1' HG12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -62.56 135.89 57.62 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.019 1.449 . . . . 1.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -75.24 154.44 86.24 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 125.001 1.438 . . . . 1.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 52.7 3.14 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.491 2.794 . . . . 1.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 64.75 42.5 4.57 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.015 1.447 . . . . 1.0 109.345 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.59 -40.38 42.39 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.954 1.409 . . . . 1.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.99 34.43 3.71 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.022 1.451 . . . . 1.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.24 -40.0 38.59 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.0 1.437 . . . . 1.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -31.22 52.87 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.051 1.469 . . . . 1.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -96.03 27.09 3.78 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.965 1.415 . . . . 1.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 164.2 65.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -77.1 -55.63 5.28 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.28 -65.81 2.1 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.312 -1.515 . . . . 1.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p -167.89 -57.54 0.02 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.021 1.071 . . . . 1.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -109.27 -58.38 2.04 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.953 1.408 . . . . 1.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.445 0 O-C-N 124.983 1.427 . . . . 1.0 109.267 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' HG12 ' A' ' 2' ' ' VAL . 11.3 ptm . . . . . 0 C--O 1.24 0.556 0 CA-C-O 118.431 -0.795 . . . . 1.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.532 HG22 ' CD1' ' A' ' 39' ' ' TYR . 10.7 p 42.64 42.18 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 124.975 1.422 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.626 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 0.6 OUTLIER -135.56 55.53 13.02 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.952 1.408 . . . . 1.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.626 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -75.05 176.5 9.85 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.514 2.809 . . . . 1.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.5 Cg_endo -74.92 117.88 5.08 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.512 2.808 . . . . 1.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.737 ' CE2' ' CD2' ' A' ' 40' ' ' TYR . 50.9 m-85 -100.4 156.0 17.5 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.996 1.435 . . . . 1.0 109.335 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.503 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 1.9 p -141.79 139.3 32.73 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.958 1.411 . . . . 1.0 109.231 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ3' ' A' ' 47' ' ' TRP . 20.0 m-85 -85.45 -79.29 0.24 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.994 1.434 . . . . 1.0 109.288 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.511 HG12 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -39.7 -45.83 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.954 1.409 . . . . 1.0 109.302 -179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -58.51 -46.2 87.22 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.99 1.431 . . . . 1.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 8' ' ' TYR . 11.7 mt -60.09 -40.65 90.34 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.048 1.468 . . . . 1.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.493 HD12 ' CD1' ' A' ' 55' ' ' LEU . 40.3 mm -72.15 -44.25 65.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 125.027 1.455 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -52.28 -42.5 63.77 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.945 1.403 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.481 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 4.9 ptm -81.9 -17.86 45.72 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.961 1.413 . . . . 1.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -81.66 -48.73 11.34 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.004 1.44 . . . . 1.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 16' ' ' ILE . 4.8 mm -56.29 -54.51 26.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.944 1.403 . . . . 1.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 1.1 pp -56.58 -30.67 63.45 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.971 1.42 . . . . 1.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -55.54 -22.57 22.17 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.001 1.438 . . . . 1.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.8 p -117.72 82.72 16.73 Favored Pre-proline 0 C--O 1.239 0.546 0 O-C-N 124.984 1.427 . . . . 1.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 10.01 1.87 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.524 2.816 . . . . 1.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -96.47 -85.35 0.34 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.032 1.458 . . . . 1.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 0.7 OUTLIER 163.3 44.68 0.0 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.941 1.401 . . . . 1.0 109.352 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.69 111.58 6.4 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.436 . . . . 1.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CB ' ' HB2' ' A' ' 77' ' ' TRP . 2.6 mm? -111.49 87.93 2.67 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.002 1.439 . . . . 1.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.985 HG23 ' O ' ' A' ' 75' ' ' ASN . 3.0 m -89.79 103.32 15.98 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.984 1.428 . . . . 1.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' HA ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -43.06 -34.37 1.02 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.981 1.426 . . . . 1.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -53.47 -46.7 70.03 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.012 1.445 . . . . 1.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 32' ' ' PHE . . . -77.92 -17.74 78.05 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 40.8 mm -76.81 -52.24 17.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 124.975 1.044 . . . . 1.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.0 p -56.92 -45.19 82.85 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.004 1.44 . . . . 1.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.7 -23.8 59.85 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.991 1.432 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 8.6 t80 -72.64 -44.9 61.3 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.968 1.418 . . . . 1.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 HD13 ' CD2' ' A' ' 32' ' ' PHE . 35.3 mm -62.9 -48.69 86.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.001 1.438 . . . . 1.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -72.61 -18.87 61.55 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 125.015 1.447 . . . . 1.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.18 -39.33 82.18 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.032 1.458 . . . . 1.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -90.92 -39.34 12.33 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.994 1.433 . . . . 1.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CD2' ' CE2' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -123.13 84.88 51.31 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.992 1.432 . . . . 1.0 109.358 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -28.07 9.58 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.51 2.807 . . . . 1.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CD1' HG22 ' A' ' 2' ' ' VAL . 1.7 t80 -71.71 -31.83 67.14 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.933 1.396 . . . . 1.0 109.262 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.737 ' CD2' ' CE2' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -65.91 -42.48 90.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.055 1.472 . . . . 1.0 109.326 -179.345 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -64.45 -33.04 74.95 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.986 1.429 . . . . 1.0 109.257 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -33.05 74.21 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.961 1.413 . . . . 1.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -84.04 -32.87 24.63 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.98 1.425 . . . . 1.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 1.2 t80 -150.91 90.72 4.12 Favored Pre-proline 0 C--O 1.239 0.509 0 O-C-N 124.959 1.412 . . . . 1.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 8.63 2.34 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.488 2.792 . . . . 1.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.602 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . . . -83.62 19.7 1.57 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.996 1.435 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.486 ' CZ3' ' CZ ' ' A' ' 8' ' ' TYR . 58.1 m95 -75.88 -3.58 36.07 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.966 1.416 . . . . 1.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 10.4 tt0 -86.14 -46.89 10.0 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.026 1.454 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.439 ' HA ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -87.84 -40.09 14.3 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.002 1.439 . . . . 1.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.6 m -56.58 -67.51 0.3 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.964 1.415 . . . . 1.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -58.93 -24.34 26.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.957 1.411 . . . . 1.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HB2' ' HA ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -56.34 -43.18 78.8 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.969 1.418 . . . . 1.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.516 ' CE1' HD22 ' A' ' 57' ' ' LEU . 9.0 t60 -72.47 -51.15 21.41 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.037 1.461 . . . . 1.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.597 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 4.9 m120 -69.33 -7.1 34.15 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.961 1.413 . . . . 1.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.536 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 5.5 tp -85.58 -46.32 10.92 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.982 1.426 . . . . 1.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.602 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 40.1 t -79.82 -46.65 16.53 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.027 1.455 . . . . 1.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.597 ' CD2' ' HA ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -57.91 -23.17 52.19 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.973 1.421 . . . . 1.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 28.2 t-20 -76.3 -67.21 0.71 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.02 1.45 . . . . 1.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.8 OUTLIER -81.34 -57.27 3.56 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.977 1.423 . . . . 1.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 99.87 25.07 0.0 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.997 1.435 . . . . 1.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -68.14 178.15 1.98 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.98 1.425 . . . . 1.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.689 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 4.9 m -100.82 137.96 26.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.95 1.407 . . . . 1.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.616 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -118.04 125.24 49.96 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.051 1.469 . . . . 1.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 64' ' ' ILE . 21.9 pt -77.76 117.29 64.81 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 124.998 1.436 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 62.11 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.561 2.841 . . . . 1.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 0.6 OUTLIER 64.75 75.43 0.37 Allowed 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.005 1.441 . . . . 1.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.17 146.81 78.98 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.957 1.411 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.83 3.76 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.561 2.841 . . . . 1.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.551 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 169.0 55.6 0.03 OUTLIER Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.329 -1.508 . . . . 1.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.705 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -131.75 51.58 7.66 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 124.984 1.05 . . . . 1.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.705 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.2 Cg_endo -75.04 62.79 5.96 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.49 2.793 . . . . 1.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.58 -88.02 0.76 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.279 -1.528 . . . . 1.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.42 -53.01 0.45 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.974 1.044 . . . . 1.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.09 -120.36 1.66 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.277 -1.529 . . . . 1.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.985 ' O ' HG23 ' A' ' 25' ' ' THR . 39.7 m-80 -116.86 -171.07 1.95 Allowed 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.055 1.091 . . . . 1.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 10.8 m-85 -145.0 118.48 9.07 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.015 1.447 . . . . 1.0 109.254 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.689 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.8 m0 -104.16 134.82 46.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.977 1.423 . . . . 1.0 109.279 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.61 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 6.3 p -124.42 146.6 48.8 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.983 1.427 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.411 ' CD2' ' OD1' ' A' ' 59' ' ' ASP . 6.7 mp -65.23 139.98 58.69 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.958 1.411 . . . . 1.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.513 ' OD1' ' CG1' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -83.97 154.25 64.06 Favored Pre-proline 0 C--O 1.24 0.573 0 O-C-N 124.978 1.424 . . . . 1.0 109.326 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.13 3.54 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.527 2.818 . . . . 1.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 64.75 43.58 4.08 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.973 1.421 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.462 ' CB ' ' OD2' ' A' ' 80' ' ' ASP . 28.9 t -80.21 -39.69 28.64 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.968 1.418 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.528 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 9.2 mm-40 -111.12 34.91 3.78 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.013 1.446 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -79.93 -50.16 10.85 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.02 1.45 . . . . 1.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.4 ' O ' ' HB2' ' A' ' 87' ' ' PHE . 3.3 mpp? -61.51 -54.28 45.33 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.965 1.416 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.528 ' CE2' ' O ' ' A' ' 84' ' ' GLU . 3.9 m-85 65.09 67.68 0.52 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.995 1.435 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.35 69.1 0.38 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.021 1.451 . . . . 1.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -81.59 -44.95 16.55 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.006 1.441 . . . . 1.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.04 -63.64 3.71 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.282 -1.527 . . . . 1.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.4 p -64.44 -60.98 2.51 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.014 1.067 . . . . 1.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 60.7 t80 60.3 54.22 4.04 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.966 1.416 . . . . 1.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.345 0.397 0 O-C-N 124.966 1.416 . . . . 1.0 109.294 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.582 0 CA-C-O 118.403 -0.808 . . . . 1.0 109.308 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.518 HG22 ' CD1' ' A' ' 39' ' ' TYR . 27.3 m -146.07 36.75 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 124.983 1.427 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -64.69 -51.96 54.7 Favored Pre-proline 0 C--O 1.241 0.607 0 O-C-N 125.01 1.443 . . . . 1.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.06 123.0 7.52 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.482 2.788 . . . . 1.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.62 34.35 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.497 2.798 . . . . 1.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.75 ' CZ ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -128.48 -167.85 1.83 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.032 1.458 . . . . 1.0 109.31 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.11 -173.17 2.35 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.978 1.424 . . . . 1.0 109.34 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.421 ' OH ' ' O ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -83.16 -74.78 0.35 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.022 1.452 . . . . 1.0 109.297 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.46 HD11 ' CB ' ' A' ' 58' ' ' ASN . 1.5 tp -59.94 -30.18 44.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.989 1.43 . . . . 1.0 109.295 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.22 -33.62 58.73 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.002 1.439 . . . . 1.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -80.84 -31.44 35.48 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.933 1.396 . . . . 1.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -62.43 -56.51 17.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 124.965 1.416 . . . . 1.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.9 p -43.22 -37.11 2.0 Allowed 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.004 1.44 . . . . 1.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.7 mtm -65.09 -41.81 94.65 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.04 1.462 . . . . 1.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.626 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -55.75 -30.35 61.08 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.979 1.424 . . . . 1.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.495 HD11 ' CE2' ' A' ' 61' ' ' PHE . 30.8 mm -80.2 -43.17 22.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 124.959 1.412 . . . . 1.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.94 -42.82 72.77 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.979 1.424 . . . . 1.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -50.94 -23.51 2.93 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.917 1.385 . . . . 1.0 109.233 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 m -113.56 89.33 15.17 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 124.973 1.421 . . . . 1.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 2.04 7.09 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.526 2.817 . . . . 1.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 47.0 tt0 -110.21 -80.14 0.58 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.0 1.438 . . . . 1.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 166.36 48.44 0.0 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.977 1.423 . . . . 1.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -134.55 93.91 3.12 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.012 1.445 . . . . 1.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 3.8 mm? -110.24 117.77 34.56 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.046 1.466 . . . . 1.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 75' ' ' ASN . 33.8 p -104.5 107.37 18.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.966 1.416 . . . . 1.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD12 ' CH2' ' A' ' 77' ' ' TRP . 10.4 tt -45.26 -36.58 4.08 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.018 1.449 . . . . 1.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 p -62.59 -45.34 93.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.051 1.469 . . . . 1.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.91 -35.26 54.56 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.326 -1.51 . . . . 1.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.79 -48.05 81.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 125.01 1.065 . . . . 1.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 t -55.98 -53.08 61.26 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.976 1.422 . . . . 1.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -65.61 -33.14 75.2 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.984 1.428 . . . . 1.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.626 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 2.0 t80 -61.05 -41.83 97.33 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.968 1.417 . . . . 1.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.625 HD13 ' CD2' ' A' ' 32' ' ' PHE . 5.8 mm -69.01 -39.04 79.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.989 1.431 . . . . 1.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -74.94 -21.3 59.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.959 1.412 . . . . 1.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.84 -47.35 75.27 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.049 1.468 . . . . 1.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -80.88 -37.88 29.02 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.067 1.479 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.75 ' CD1' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -118.85 86.2 30.12 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.95 1.406 . . . . 1.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.37 1.24 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.489 2.793 . . . . 1.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.518 ' CD1' HG22 ' A' ' 2' ' ' VAL . 8.9 m-85 -70.18 -27.73 64.75 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.017 1.448 . . . . 1.0 109.334 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CD1' ' HZ2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -64.73 -48.82 73.2 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.98 1.425 . . . . 1.0 109.319 -179.38 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -64.93 -46.04 83.32 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.959 1.412 . . . . 1.0 109.318 -179.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -58.12 -24.1 57.47 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.965 1.416 . . . . 1.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -96.73 -32.36 12.2 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.032 1.458 . . . . 1.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.658 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.5 t80 -152.04 85.58 4.66 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 124.996 1.435 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HB3' ' HG3' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.01 11.39 1.45 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.516 2.811 . . . . 1.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -84.97 27.28 0.78 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.958 1.411 . . . . 1.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 96.2 m95 -81.51 24.64 0.56 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.001 1.438 . . . . 1.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.49 -78.78 0.18 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.011 1.444 . . . . 1.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' ARG . 27.3 t-20 -82.94 -32.49 27.13 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.006 1.441 . . . . 1.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 5.7 p -41.9 -26.6 0.09 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.984 1.427 . . . . 1.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -107.07 -27.24 3.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 125.02 1.45 . . . . 1.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' N ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -59.76 -23.97 63.68 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.995 1.435 . . . . 1.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.522 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -73.07 -56.8 4.62 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.978 1.424 . . . . 1.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.45 -28.11 60.89 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.426 . . . . 1.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.613 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 32.2 tp -58.28 -59.8 4.77 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.004 1.44 . . . . 1.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.1 OUTLIER -69.86 -27.67 65.03 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.997 1.435 . . . . 1.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.522 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 1.2 tt -90.75 17.7 7.35 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.014 1.446 . . . . 1.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 12.1 t30 -103.37 -89.8 0.38 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.029 1.455 . . . . 1.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.569 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 24.8 m-20 -83.18 -3.9 57.84 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.008 1.442 . . . . 1.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.577 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 13.5 p 52.0 65.78 1.4 Allowed 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -95.09 178.39 5.56 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.972 1.42 . . . . 1.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -101.0 112.08 32.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 124.998 1.436 . . . . 1.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.677 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -85.13 146.76 26.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.983 1.427 . . . . 1.0 109.276 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 1.1 pp -115.67 82.79 10.56 Favored Pre-proline 0 C--O 1.24 0.578 0 O-C-N 124.972 1.42 . . . . 1.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 5.42 4.0 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.511 2.807 . . . . 1.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.21 91.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.993 1.433 . . . . 1.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.449 ' HB2' HD13 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -125.72 174.05 4.39 Favored Pre-proline 0 C--O 1.24 0.57 0 O-C-N 124.95 1.406 . . . . 1.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -74.99 50.61 2.57 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.522 2.815 . . . . 1.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.82 35.45 0.02 OUTLIER Glycine 0 C--N 1.346 1.091 0 N-CA-C 109.246 -1.542 . . . . 1.0 109.246 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.701 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 2.7 t-20 -84.68 -42.03 0.7 Allowed Pre-proline 0 C--O 1.24 0.569 0 O-C-N 125.02 1.071 . . . . 1.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.96 54.45 3.63 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.491 2.794 . . . . 1.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -120.32 -57.37 0.24 Allowed Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.291 -1.524 . . . . 1.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -143.8 -61.54 0.4 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.945 1.026 . . . . 1.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -143.87 -126.89 2.01 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.354 -1.498 . . . . 1.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.813 ' O ' HG22 ' A' ' 25' ' ' THR . 32.1 m-20 -128.8 -172.02 2.61 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.067 1.098 . . . . 1.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 16.7 m-85 -146.45 101.12 3.44 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.037 1.461 . . . . 1.0 109.303 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.677 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 5.2 m0 -98.55 130.57 45.12 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.037 1.461 . . . . 1.0 109.285 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 43.1 p -118.44 142.18 47.81 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.978 1.424 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.405 ' HG ' ' HB3' ' A' ' 59' ' ' ASP . 7.3 mp -66.33 132.66 48.86 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.019 1.45 . . . . 1.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -109.32 101.02 43.89 Favored Pre-proline 0 C--O 1.24 0.581 0 O-C-N 124.989 1.431 . . . . 1.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.64 9.03 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.494 2.796 . . . . 1.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.33 -37.73 83.75 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.955 1.409 . . . . 1.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.4 p -60.68 -57.46 12.62 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.035 1.459 . . . . 1.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.69 -37.48 84.27 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.99 1.431 . . . . 1.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.22 -49.54 75.68 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.979 1.425 . . . . 1.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 mmt -62.99 -57.43 10.73 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.959 1.412 . . . . 1.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.4 t80 73.81 67.56 0.1 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.039 1.462 . . . . 1.0 109.28 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 60.62 60.51 1.92 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.977 1.423 . . . . 1.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -55.05 -48.69 73.11 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.976 1.423 . . . . 1.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.36 -68.52 1.48 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 109.303 -1.519 . . . . 1.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -164.5 -58.63 0.03 OUTLIER 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.001 1.059 . . . . 1.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -154.31 57.93 0.71 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.011 1.444 . . . . 1.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 C--N 1.346 0.415 0 O-C-N 125.033 1.458 . . . . 1.0 109.28 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.586 0 CA-C-O 118.368 -0.825 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.544 ' HB ' ' CG ' ' A' ' 39' ' ' TYR . 34.7 m -151.06 -48.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.02 1.45 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' N ' HG23 ' A' ' 2' ' ' VAL . 1.2 mtmt -174.03 170.83 1.66 Allowed Pre-proline 0 C--O 1.24 0.57 0 O-C-N 125.059 1.474 . . . . 1.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' CD ' ' HG2' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.01 171.71 17.8 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.503 2.802 . . . . 1.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.46 41.29 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.545 2.83 . . . . 1.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -135.64 179.96 6.01 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.995 1.434 . . . . 1.0 109.291 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.449 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -111.15 143.44 41.87 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.019 1.449 . . . . 1.0 109.293 -179.544 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -60.83 2.16 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.952 1.407 . . . . 1.0 109.267 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.862 ' O ' HG23 ' A' ' 13' ' ' THR . 2.4 pp -54.67 -44.98 72.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.018 1.449 . . . . 1.0 109.292 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB3' ' CB ' ' A' ' 7' ' ' SER . . . -60.67 -24.13 65.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.005 1.441 . . . . 1.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' CD1' ' NH2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -77.63 -53.2 7.85 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 125.004 1.44 . . . . 1.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.459 HG21 ' CB ' ' A' ' 58' ' ' ASN . 1.6 mp -58.0 -47.73 85.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 125.029 1.456 . . . . 1.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.862 HG23 ' O ' ' A' ' 9' ' ' ILE . 28.5 p -43.87 -34.82 1.74 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.948 1.405 . . . . 1.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.514 ' HE2' ' NH2' ' A' ' 36' ' ' ARG . 3.0 ttp -83.22 -35.8 25.12 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.019 1.449 . . . . 1.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.614 ' O ' ' HB2' ' A' ' 18' ' ' GLN . . . -55.55 -49.06 73.69 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.018 1.449 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -56.32 -42.72 74.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.991 1.432 . . . . 1.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 13' ' ' THR . 53.1 mt -48.78 -40.27 28.33 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.029 1.456 . . . . 1.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.614 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 9.6 mm100 -45.08 -24.35 0.23 Allowed 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.002 1.439 . . . . 1.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.534 ' CB ' ' HG ' ' A' ' 24' ' ' LEU . 77.3 p -111.52 90.56 12.54 Favored Pre-proline 0 C--O 1.239 0.546 0 O-C-N 125.006 1.441 . . . . 1.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 15.29 0.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.541 2.827 . . . . 1.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -130.7 -85.96 0.51 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.007 1.442 . . . . 1.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.711 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER 177.34 40.8 0.0 OUTLIER 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.985 1.428 . . . . 1.0 109.278 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -141.51 106.75 5.0 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.046 1.466 . . . . 1.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HG ' ' CB ' ' A' ' 19' ' ' SER . 13.0 mt -120.57 125.03 46.77 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.009 1.443 . . . . 1.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.939 HG22 ' O ' ' A' ' 75' ' ' ASN . 18.3 p -102.8 114.07 28.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.429 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -42.73 -34.62 0.94 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.056 1.472 . . . . 1.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -66.72 -41.56 87.74 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.002 1.438 . . . . 1.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.19 -22.3 68.47 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.29 -1.524 . . . . 1.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.22 -52.28 15.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.946 1.027 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.82 -35.73 79.08 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.028 1.455 . . . . 1.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -38.38 81.78 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.975 1.422 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.92 -54.92 40.43 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.992 1.432 . . . . 1.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.485 HG13 ' CD2' ' A' ' 32' ' ' PHE . 14.1 mt -60.03 -57.96 9.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 125.021 1.451 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -53.79 -23.41 11.97 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.925 1.39 . . . . 1.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 32' ' ' PHE . 2.8 t-20 -59.38 -42.49 91.81 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.016 1.447 . . . . 1.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.517 ' NH2' ' CD1' ' A' ' 11' ' ' LEU . 1.2 ptt180 -123.23 37.01 4.51 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.014 1.446 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.495 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 5.7 m-85 -136.03 62.69 47.41 Favored Pre-proline 0 C--O 1.239 0.551 0 O-C-N 125.002 1.439 . . . . 1.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -75.04 -65.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.454 2.769 . . . . 1.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.544 ' CG ' ' HB ' ' A' ' 2' ' ' VAL . 64.3 m-85 -67.05 -17.91 65.11 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.982 1.426 . . . . 1.0 109.316 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -48.94 13.92 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.432 . . . . 1.0 109.318 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -38.01 84.01 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.933 1.396 . . . . 1.0 109.281 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.08 -43.38 92.38 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.929 1.393 . . . . 1.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -53.73 11.02 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.029 1.456 . . . . 1.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.56 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 4.0 t80 -131.71 93.11 28.92 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 124.984 1.427 . . . . 1.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 2.53 6.52 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.534 2.822 . . . . 1.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.506 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -85.43 25.52 1.02 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.987 1.43 . . . . 1.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 52.8 m95 -69.45 -30.27 68.14 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.039 1.462 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -70.39 -47.75 59.39 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.983 1.427 . . . . 1.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -76.37 -53.46 8.14 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.962 1.414 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 83.0 p -47.88 -52.03 20.84 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.993 1.433 . . . . 1.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.544 ' CG1' ' O ' ' A' ' 47' ' ' TRP . 13.4 mm -66.5 -40.58 86.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 125.002 1.439 . . . . 1.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HD2' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -47.67 -39.6 17.73 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.026 1.454 . . . . 1.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -81.63 -56.95 3.68 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.029 1.456 . . . . 1.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.528 ' N ' ' CG ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -53.08 -41.83 65.29 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.024 1.453 . . . . 1.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.58 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 18.7 tp -53.19 -49.68 66.22 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.969 1.418 . . . . 1.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 1.3 t -82.59 -20.26 36.83 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.917 1.386 . . . . 1.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.0 tp -84.59 -5.55 59.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.951 1.407 . . . . 1.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' CB ' HG21 ' A' ' 12' ' ' ILE . 1.7 t-20 -96.94 -73.7 0.59 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.027 1.454 . . . . 1.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.578 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 2.9 m-20 -84.04 -39.72 19.26 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.012 1.445 . . . . 1.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 56' ' ' SER . 1.2 m 77.83 36.47 0.25 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.13 -175.91 0.37 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.002 1.439 . . . . 1.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.55 ' CG2' ' OG1' ' A' ' 78' ' ' THR . 11.7 m -105.51 121.57 57.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.977 1.423 . . . . 1.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.607 ' HD3' ' CZ2' ' A' ' 77' ' ' TRP . 4.6 pttp -104.67 143.01 33.67 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.023 1.452 . . . . 1.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.663 HD11 ' CD1' ' A' ' 76' ' ' TYR . 4.3 pt -104.14 104.78 45.77 Favored Pre-proline 0 C--O 1.239 0.55 0 O-C-N 125.0 1.438 . . . . 1.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.541 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.03 3.75 5.36 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.5 2.8 . . . . 1.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 52.6 ttt180 169.28 90.24 0.0 OUTLIER 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.002 1.439 . . . . 1.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -71.81 145.85 89.93 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 124.952 1.408 . . . . 1.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.04 1.51 7.68 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.507 2.805 . . . . 1.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.55 62.74 0.32 Allowed Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.285 -1.526 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -133.69 156.77 79.17 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 125.051 1.089 . . . . 1.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -27.79 9.64 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.473 2.782 . . . . 1.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.81 61.48 1.22 Allowed Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.285 -1.526 . . . . 1.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -126.2 -57.57 1.39 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.954 1.032 . . . . 1.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.32 -129.83 3.14 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.939 ' O ' HG22 ' A' ' 25' ' ' THR . 81.1 m-20 -155.18 178.07 10.62 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.045 1.085 . . . . 1.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.663 ' CD1' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -129.24 77.3 1.78 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.024 1.453 . . . . 1.0 109.301 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.607 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 8.0 m0 -73.33 126.52 30.31 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.026 1.454 . . . . 1.0 109.302 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 22' ' ' LYS . 73.0 p -121.4 139.21 53.74 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.005 1.441 . . . . 1.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.49 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.19 132.16 46.68 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.975 1.422 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.68 90.61 48.28 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 125.031 1.457 . . . . 1.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' ASP . 18.4 Cg_endo -74.99 -40.97 0.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.517 2.811 . . . . 1.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -26.52 37.07 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.004 1.44 . . . . 1.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -48.4 78.71 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.985 1.428 . . . . 1.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -115.98 31.86 6.46 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.951 1.407 . . . . 1.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' PRO . 7.7 t70 -81.36 -45.75 15.68 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.992 1.433 . . . . 1.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.426 ' SD ' ' OD1' ' A' ' 89' ' ' ASN . 14.6 mmt -79.27 -73.48 0.34 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.955 1.409 . . . . 1.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 44.76 49.93 8.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.981 1.425 . . . . 1.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 173.31 -68.61 0.01 OUTLIER 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.937 1.398 . . . . 1.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.426 ' OD1' ' SD ' ' A' ' 86' ' ' MET . 3.1 p30 -70.66 -32.94 70.4 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.987 1.43 . . . . 1.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.8 -47.09 92.21 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 109.316 -1.513 . . . . 1.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.8 -46.65 77.96 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.018 1.07 . . . . 1.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -54.72 38.03 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 124.973 1.421 . . . . 1.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 C--N 1.345 0.383 0 O-C-N 125.003 1.44 . . . . 1.0 109.287 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.566 0 CA-C-O 118.375 -0.821 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.519 ' HB ' ' CE2' ' A' ' 39' ' ' TYR . 28.8 m -148.02 42.19 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.013 1.446 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.507 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 27.97 61.83 0.66 Allowed Pre-proline 0 C--O 1.24 0.568 0 O-C-N 125.008 1.442 . . . . 1.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -74.99 110.85 3.2 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.548 2.832 . . . . 1.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.5 Cg_endo -74.93 -24.62 12.8 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.487 2.791 . . . . 1.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.477 ' CD1' HD21 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -93.28 170.89 9.28 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.017 1.448 . . . . 1.0 109.262 -179.74 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.511 ' HB2' ' CD1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -124.83 173.62 8.48 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.002 1.439 . . . . 1.0 109.267 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -56.6 -27.66 58.65 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 124.971 1.42 . . . . 1.0 109.318 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 7' ' ' SER . 0.1 OUTLIER -79.22 4.0 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.993 1.433 . . . . 1.0 109.317 -179.521 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.8 -39.58 2.95 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.979 1.424 . . . . 1.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.546 HD12 ' CE2' ' A' ' 37' ' ' PHE . 3.3 mm? -69.97 -49.15 54.6 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.961 1.413 . . . . 1.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.3 mm -69.17 -41.14 81.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 124.974 1.421 . . . . 1.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -48.67 -36.2 15.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.955 1.409 . . . . 1.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.469 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -83.35 -28.49 28.94 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.941 1.401 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.551 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -77.81 -40.7 39.7 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.017 1.448 . . . . 1.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.512 HD11 ' CE2' ' A' ' 61' ' ' PHE . 4.4 tp -61.93 -49.02 85.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 125.039 1.462 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 14' ' ' MET . 1.5 pp -63.65 -30.77 71.83 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.951 1.407 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.87 -23.45 2.82 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.018 1.449 . . . . 1.0 109.35 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.566 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 3.0 p -117.31 77.82 10.19 Favored Pre-proline 0 C--O 1.24 0.588 0 O-C-N 124.996 1.435 . . . . 1.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 31.97 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.583 2.855 . . . . 1.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -126.03 -89.01 0.57 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.985 1.428 . . . . 1.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 173.37 40.02 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.048 1.468 . . . . 1.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -143.12 90.87 2.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.986 1.429 . . . . 1.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.566 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -102.64 103.41 13.69 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.035 1.459 . . . . 1.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.858 HG22 ' O ' ' A' ' 75' ' ' ASN . 82.1 p -89.25 106.78 18.67 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.95 1.406 . . . . 1.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -50.24 -40.57 48.08 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.0 1.437 . . . . 1.0 109.235 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -43.63 98.42 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.97 1.419 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.63 -36.14 54.26 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.28 -1.528 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.98 -47.6 76.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.987 1.051 . . . . 1.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' SG ' ' HG3' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -62.23 -41.07 98.08 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.042 1.464 . . . . 1.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.27 -27.13 67.7 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.356 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.488 ' CE2' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -81.61 -41.59 21.28 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.031 1.457 . . . . 1.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.487 HG13 ' CE1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -73.28 -36.8 50.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.965 1.415 . . . . 1.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.3 p -71.06 -20.33 62.38 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.979 1.424 . . . . 1.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -79.8 -56.91 3.94 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.982 1.426 . . . . 1.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HG3' ' CD2' ' A' ' 37' ' ' PHE . 1.7 ptp180 -74.39 -39.27 62.8 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.975 1.422 . . . . 1.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 1.8 m-85 -118.59 72.81 10.82 Favored Pre-proline 0 C--O 1.241 0.617 0 O-C-N 124.977 1.423 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HD3' ' C ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -74.98 -40.08 1.02 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.541 2.827 . . . . 1.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CE2' ' HB ' ' A' ' 2' ' ' VAL . 25.9 t80 -62.51 -18.18 61.35 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.005 1.441 . . . . 1.0 109.313 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.703 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -81.15 -44.34 18.03 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.006 1.441 . . . . 1.0 109.325 -179.36 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -43.2 20.88 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.0 1.437 . . . . 1.0 109.285 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.43 -12.18 55.81 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.97 1.419 . . . . 1.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -113.32 -37.83 4.58 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.018 1.449 . . . . 1.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.858 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 1.1 t80 -132.84 66.85 77.25 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.961 1.413 . . . . 1.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -75.02 -13.91 21.23 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.51 2.806 . . . . 1.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.95 -5.98 58.75 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.981 1.425 . . . . 1.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.858 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -84.46 10.39 10.94 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.956 1.41 . . . . 1.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.414 ' O ' HD13 ' A' ' 51' ' ' ILE . 43.6 tt0 -52.03 -50.87 60.58 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.07 -24.68 32.62 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.01 1.444 . . . . 1.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 14.9 t -52.47 -44.84 65.82 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.043 1.464 . . . . 1.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.481 HG12 ' N ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -82.48 -30.66 9.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 125.025 1.453 . . . . 1.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.481 ' N ' HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.22 -46.08 68.95 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.003 1.44 . . . . 1.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.414 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -57.77 -57.21 13.76 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.013 1.445 . . . . 1.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -62.21 -28.39 69.65 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.011 1.445 . . . . 1.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.592 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -59.38 -53.68 55.38 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.986 1.429 . . . . 1.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -77.88 -29.18 50.13 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.987 1.429 . . . . 1.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -84.38 18.61 2.16 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.994 1.434 . . . . 1.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 8.1 t-20 -105.14 -86.17 0.47 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.99 1.431 . . . . 1.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.66 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -83.71 -35.89 24.12 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.007 1.442 . . . . 1.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.66 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 75.8 m 89.48 43.63 0.01 OUTLIER 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.044 1.465 . . . . 1.0 109.336 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.635 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.01 -168.15 0.13 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.963 1.414 . . . . 1.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -119.14 115.16 46.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 125.062 1.476 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HE3' ' CH2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -107.03 129.35 54.82 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.96 1.413 . . . . 1.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.03 113.14 41.07 Favored Pre-proline 0 C--O 1.239 0.535 0 O-C-N 124.989 1.43 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 2.81 6.19 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.542 2.828 . . . . 1.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.69 71.37 0.01 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.015 1.447 . . . . 1.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 69' ' ' GLY . 1.6 pm0 -74.06 160.74 80.97 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.053 1.471 . . . . 1.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -74.96 32.25 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.546 2.831 . . . . 1.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 67' ' ' GLU . . . -177.13 38.04 0.09 OUTLIER Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.3 -1.52 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.752 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 22.5 t-20 -70.31 -37.89 7.77 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 125.018 1.07 . . . . 1.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.752 ' CD ' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.97 51.66 2.84 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.539 2.826 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.9 -57.41 0.05 OUTLIER Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.11 -78.34 0.28 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.985 1.05 . . . . 1.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -143.93 -116.31 1.1 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.289 -1.524 . . . . 1.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.858 ' O ' HG22 ' A' ' 25' ' ' THR . 4.2 m-80 -133.64 -159.67 0.98 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.004 1.061 . . . . 1.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 7.8 m-85 -146.15 85.07 1.66 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.998 1.436 . . . . 1.0 109.297 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.53 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 10.4 m0 -78.64 133.5 37.24 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.982 1.426 . . . . 1.0 109.302 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 5.1 p -120.44 132.83 55.41 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.022 1.451 . . . . 1.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.57 123.15 20.06 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.985 1.428 . . . . 1.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 4.2 p-10 -69.64 113.03 14.17 Favored Pre-proline 0 C--O 1.24 0.566 0 O-C-N 125.008 1.443 . . . . 1.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.53 5.55 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.471 2.78 . . . . 1.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 67.7 44.01 1.71 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.959 1.412 . . . . 1.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 p -78.34 -41.81 32.41 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.989 1.431 . . . . 1.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.78 33.4 4.41 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.953 1.408 . . . . 1.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -79.73 -47.29 15.54 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.019 1.449 . . . . 1.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -26.15 8.97 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.992 1.433 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -75.23 -36.22 61.34 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.015 1.447 . . . . 1.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.5 -60.56 2.62 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.961 1.413 . . . . 1.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -67.65 -35.25 78.54 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.97 1.419 . . . . 1.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.77 -47.88 69.15 Favored Glycine 0 C--N 1.344 1.003 0 N-CA-C 109.262 -1.535 . . . . 1.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.434 ' HG ' ' HD1' ' A' ' 92' ' ' PHE . 4.8 t -78.82 -71.17 0.45 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.01 1.065 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 6.0 p90 176.34 74.17 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.94 1.4 . . . . 1.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.379 0 O-C-N 125.027 1.454 . . . . 1.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' N ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.579 0 CA-C-O 118.372 -0.823 . . . . 1.0 109.29 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.511 HG11 ' CD1' ' A' ' 39' ' ' TYR . 84.1 t -135.25 -75.43 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.017 1.448 . . . . 1.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.628 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 5.8 tptt -152.18 -64.13 0.02 OUTLIER Pre-proline 0 C--O 1.24 0.594 0 O-C-N 125.005 1.44 . . . . 1.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.628 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -74.99 161.47 38.75 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.535 2.823 . . . . 1.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.89 15.94 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.462 2.775 . . . . 1.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.613 ' CZ ' ' CH2' ' A' ' 47' ' ' TRP . 3.5 t80 -111.67 138.72 47.86 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.069 1.481 . . . . 1.0 109.289 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 1.3 m -130.02 138.47 50.8 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.987 1.429 . . . . 1.0 109.33 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' LEU . 2.9 m-85 -77.16 -68.37 0.62 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.976 1.423 . . . . 1.0 109.274 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.941 ' O ' HG23 ' A' ' 13' ' ' THR . 0.2 OUTLIER -46.97 -36.62 3.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 125.029 1.456 . . . . 1.0 109.298 -179.539 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 7' ' ' SER . . . -69.46 -32.46 71.4 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.998 1.436 . . . . 1.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD12 ' CG1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -71.04 -50.93 28.69 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.971 1.42 . . . . 1.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG13 ' CD2' ' A' ' 55' ' ' LEU . 1.5 mp -58.76 -53.59 45.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.996 1.435 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.941 HG23 ' O ' ' A' ' 9' ' ' ILE . 20.5 p -42.56 -36.79 1.47 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.994 1.434 . . . . 1.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -80.71 -38.46 28.83 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.015 1.447 . . . . 1.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -62.41 -46.03 90.43 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.012 1.445 . . . . 1.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.418 ' CD1' ' HG ' ' A' ' 24' ' ' LEU . 22.5 mm -65.19 -44.96 95.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.974 1.421 . . . . 1.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -43.53 94.03 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.012 1.445 . . . . 1.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -50.75 -22.07 1.94 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.017 1.448 . . . . 1.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 1.9 p -118.22 76.97 12.59 Favored Pre-proline 0 C--O 1.239 0.539 0 O-C-N 124.995 1.435 . . . . 1.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.01 32.54 0.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.497 2.798 . . . . 1.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.496 ' O ' ' CE ' ' A' ' 22' ' ' LYS . 44.5 tp60 -122.86 -85.93 0.65 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.996 1.435 . . . . 1.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.811 ' O ' HG22 ' A' ' 78' ' ' THR . 0.0 OUTLIER 170.84 42.41 0.0 OUTLIER 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.98 1.425 . . . . 1.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' C ' HD22 ' A' ' 24' ' ' LEU . 13.1 mttp -141.25 108.51 5.51 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.999 1.437 . . . . 1.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 29' ' ' ILE . 4.3 mm? -120.32 64.62 0.83 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.976 1.423 . . . . 1.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -66.93 121.41 15.44 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.012 1.445 . . . . 1.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -31.94 39.23 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 124.973 1.421 . . . . 1.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -41.97 84.11 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.988 1.43 . . . . 1.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' PHE . . . -80.77 -44.6 8.28 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.283 -1.527 . . . . 1.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.455 HD11 ' CD1' ' A' ' 24' ' ' LEU . 1.5 mp -56.25 -49.79 74.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.988 1.052 . . . . 1.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.4 t -59.13 -57.17 14.22 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.002 1.439 . . . . 1.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -62.24 -21.95 65.58 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.981 1.426 . . . . 1.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -73.05 -47.13 47.42 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.992 1.432 . . . . 1.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.483 ' CG1' HD12 ' A' ' 11' ' ' LEU . 2.1 mt -66.93 -50.68 62.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 125.012 1.445 . . . . 1.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.1 p -65.37 -17.56 64.62 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.002 1.439 . . . . 1.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -69.09 -45.62 69.81 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.999 1.437 . . . . 1.0 109.351 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 20.4 mmm-85 -80.03 -33.81 38.86 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.013 1.446 . . . . 1.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -122.87 83.93 49.96 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 125.001 1.438 . . . . 1.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.46 7.14 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.481 2.787 . . . . 1.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.511 ' CD1' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -71.9 -28.84 63.77 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.018 1.449 . . . . 1.0 109.284 -179.752 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CE1' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -65.83 -55.23 18.19 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.992 1.432 . . . . 1.0 109.298 -179.357 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -38.08 47.41 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.972 1.42 . . . . 1.0 109.3 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.23 -37.81 78.19 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.938 1.399 . . . . 1.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -54.52 6.85 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.983 1.427 . . . . 1.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.544 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 3.7 t80 -131.39 92.97 30.54 Favored Pre-proline 0 C--O 1.239 0.533 0 O-C-N 125.013 1.446 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 4.92 4.27 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.533 2.822 . . . . 1.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -84.84 23.1 1.23 Allowed 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.016 1.448 . . . . 1.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CH2' ' CZ ' ' A' ' 6' ' ' TYR . 61.6 m95 -69.06 -41.48 77.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.018 1.449 . . . . 1.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 1.5 tt0 -58.41 -43.11 88.47 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.014 1.446 . . . . 1.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -67.47 -56.59 8.95 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.987 1.429 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -58.17 -47.92 81.89 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.991 1.432 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.513 ' HA ' ' OD1' ' A' ' 54' ' ' ASN . 73.6 mt -61.97 -61.84 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.963 1.414 . . . . 1.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -42.79 -23.99 0.05 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.033 1.458 . . . . 1.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.569 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 3.2 t60 -80.49 -58.4 3.14 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.984 1.428 . . . . 1.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.513 ' OD1' ' HA ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -71.66 -32.46 67.92 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.053 1.471 . . . . 1.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.615 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -56.61 -57.39 12.6 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.996 1.435 . . . . 1.0 109.316 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.15 -32.71 59.24 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.978 1.423 . . . . 1.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 tp -85.19 23.57 1.25 Allowed 'General case' 0 C--O 1.239 0.52 0 O-C-N 125.02 1.45 . . . . 1.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 5.1 t30 -107.54 -85.1 0.52 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.027 1.454 . . . . 1.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.728 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 21.8 m-20 -81.19 -30.0 34.44 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.94 1.4 . . . . 1.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.728 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 9.9 m 86.01 28.74 0.05 OUTLIER 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.045 1.466 . . . . 1.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.68 ' HB3' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -67.33 -178.07 0.79 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.023 1.452 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 77' ' ' TRP . 10.5 m -112.35 139.23 38.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.016 1.448 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB3' ' CD2' ' A' ' 77' ' ' TRP . 1.1 pttp -112.46 172.54 6.86 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.001 1.438 . . . . 1.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.421 ' HB ' ' OE2' ' A' ' 67' ' ' GLU . 95.7 mt -109.03 97.16 23.45 Favored Pre-proline 0 C--O 1.24 0.562 0 O-C-N 124.993 1.433 . . . . 1.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -74.98 10.59 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.563 2.842 . . . . 1.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.51 86.15 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.017 1.448 . . . . 1.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.58 ' OE1' ' CE2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -68.62 138.73 91.08 Favored Pre-proline 0 C--O 1.24 0.58 0 O-C-N 124.953 1.408 . . . . 1.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -74.98 -38.98 1.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.516 2.81 . . . . 1.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.4 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . -80.47 -44.8 8.38 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 109.363 -1.495 . . . . 1.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.83 80.56 8.8 Favored Pre-proline 0 C--O 1.24 0.579 0 O-C-N 124.98 1.047 . . . . 1.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' C ' ' A' ' 69' ' ' GLY . 18.4 Cg_endo -74.97 16.43 0.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.514 2.809 . . . . 1.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.23 -81.66 1.53 Allowed Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.271 -1.532 . . . . 1.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -139.94 50.94 1.72 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.98 1.047 . . . . 1.0 109.304 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.42 ' C ' ' OD1' ' A' ' 75' ' ' ASN . . . -105.75 115.92 5.0 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.1 m-20 -138.65 92.78 2.65 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.999 1.058 . . . . 1.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' OE1' ' A' ' 67' ' ' GLU . 16.9 m-85 -89.12 134.21 34.1 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.016 1.448 . . . . 1.0 109.329 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.638 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.1 m0 -106.64 135.35 48.32 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.952 1.407 . . . . 1.0 109.298 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 22' ' ' LYS . 15.0 p -121.87 139.02 54.16 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.035 1.459 . . . . 1.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.68 ' HA ' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -71.62 127.13 31.57 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.011 1.444 . . . . 1.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -71.59 135.57 83.71 Favored Pre-proline 0 C--O 1.239 0.549 0 O-C-N 125.009 1.443 . . . . 1.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 59.36 5.19 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.453 2.768 . . . . 1.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.413 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 15.6 pt20 177.45 42.1 0.0 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.028 1.455 . . . . 1.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.9 m -80.55 -26.37 38.03 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.984 1.428 . . . . 1.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -71.4 -43.86 66.02 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.01 1.444 . . . . 1.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 82' ' ' GLN . 2.2 p-10 -81.21 2.63 26.94 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.944 1.403 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -40.56 33.5 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.044 1.465 . . . . 1.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -105.25 -45.99 4.35 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.989 1.431 . . . . 1.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -34.92 15.37 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.066 1.478 . . . . 1.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -53.89 -44.96 70.91 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.036 1.46 . . . . 1.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.22 -58.1 10.3 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.269 -1.532 . . . . 1.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.75 -58.96 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.942 1.024 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -179.59 -59.61 0.01 OUTLIER 'General case' 0 C--O 1.24 0.567 0 O-C-N 125.006 1.441 . . . . 1.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.344 0.363 0 O-C-N 124.984 1.428 . . . . 1.0 109.331 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.574 0 CA-C-O 118.448 -0.787 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.12 -78.58 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.949 1.406 . . . . 1.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.642 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -167.17 -64.57 0.01 OUTLIER Pre-proline 0 C--O 1.239 0.528 0 O-C-N 124.967 1.417 . . . . 1.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.642 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.5 Cg_endo -74.98 122.52 7.27 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.482 2.788 . . . . 1.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 73.88 4.16 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.504 2.802 . . . . 1.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -130.65 171.03 13.53 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.045 1.466 . . . . 1.0 109.31 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.88 177.69 4.68 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.969 1.418 . . . . 1.0 109.281 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.716 ' CZ ' ' CZ3' ' A' ' 47' ' ' TRP . 0.6 OUTLIER -80.44 -72.64 0.4 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.999 1.437 . . . . 1.0 109.311 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.541 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 1.2 mp -54.61 -32.04 24.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.987 1.43 . . . . 1.0 109.313 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -39.81 75.96 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.968 1.417 . . . . 1.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.531 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -81.49 -37.69 27.52 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.004 1.44 . . . . 1.0 109.307 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.541 ' HB ' ' HA ' ' A' ' 9' ' ' ILE . 1.3 mp -46.84 -37.69 3.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.979 1.424 . . . . 1.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -43.82 -43.12 6.03 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.025 1.453 . . . . 1.0 109.292 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 mtm -81.54 -39.21 25.0 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.954 1.409 . . . . 1.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.502 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . -46.81 -32.31 3.61 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.988 1.43 . . . . 1.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.616 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 1.3 tp -77.52 -43.55 30.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 125.023 1.452 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.86 -32.9 15.47 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.991 1.432 . . . . 1.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 1.5 mp0 -51.12 -22.75 2.68 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.994 1.434 . . . . 1.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.429 ' OG ' ' HG ' ' A' ' 24' ' ' LEU . 77.3 p -114.28 85.33 10.42 Favored Pre-proline 0 C--O 1.239 0.552 0 O-C-N 125.017 1.448 . . . . 1.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.0 12.45 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.485 2.79 . . . . 1.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.53 -83.89 0.48 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.043 1.464 . . . . 1.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.48 40.74 0.0 OUTLIER 'General case' 0 C--O 1.239 0.518 0 O-C-N 125.006 1.441 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' CG ' ' HB2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -139.15 99.69 3.82 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.042 1.464 . . . . 1.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' CD1' HD12 ' A' ' 16' ' ' ILE . 27.0 mt -105.05 103.5 13.06 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.028 1.455 . . . . 1.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.903 HG23 ' O ' ' A' ' 75' ' ' ASN . 15.9 m -89.59 102.96 15.64 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.986 1.428 . . . . 1.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -41.12 -37.85 0.95 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.984 1.427 . . . . 1.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.3 m -56.76 -44.91 82.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.992 1.432 . . . . 1.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.05 -27.65 52.27 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 109.262 -1.535 . . . . 1.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.426 ' HB ' ' HA ' ' A' ' 26' ' ' LEU . 21.7 mm -58.2 -54.68 29.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 O-C-N 124.957 1.034 . . . . 1.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.96 -40.49 75.39 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.973 1.42 . . . . 1.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -55.72 -38.33 69.6 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.012 1.445 . . . . 1.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.529 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.16 -42.39 62.84 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.023 1.452 . . . . 1.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.544 HG23 ' CD1' ' A' ' 37' ' ' PHE . 86.9 mt -67.53 -53.82 28.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.003 1.44 . . . . 1.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.2 t -46.59 -26.46 0.9 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.057 1.473 . . . . 1.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.61 -46.87 74.48 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.99 1.431 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -100.22 9.72 42.34 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.985 1.428 . . . . 1.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' CD2' ' A' ' 40' ' ' TYR . 12.0 m-85 -137.31 64.15 45.21 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 125.018 1.449 . . . . 1.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -75.05 -52.34 0.11 Allowed 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.485 2.79 . . . . 1.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 39' ' ' TYR . 18.6 t80 -80.56 -9.02 59.79 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.987 1.43 . . . . 1.0 109.357 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -80.01 -39.03 30.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.052 1.47 . . . . 1.0 109.336 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -72.51 -55.33 7.14 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.004 1.44 . . . . 1.0 109.299 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.27 -33.44 3.72 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.038 1.461 . . . . 1.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -52.37 5.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.999 1.437 . . . . 1.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 7.6 t80 -131.77 87.81 44.2 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 124.944 1.402 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 5.32 4.06 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.489 2.793 . . . . 1.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -84.62 26.35 0.82 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.015 1.447 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.716 ' CZ3' ' CZ ' ' A' ' 8' ' ' TYR . 67.4 m95 -68.94 -42.65 76.43 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.018 1.449 . . . . 1.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 2.5 mt-30 -56.25 -43.79 79.04 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.007 1.442 . . . . 1.0 109.335 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -80.62 -43.44 20.52 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.018 1.449 . . . . 1.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 19.8 m -63.84 -65.43 0.68 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.07 1.481 . . . . 1.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.696 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -52.18 -43.59 38.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.998 1.436 . . . . 1.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -43.94 -38.12 3.27 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.999 1.437 . . . . 1.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -81.58 -56.24 4.14 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.956 1.41 . . . . 1.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 4.2 m120 -59.07 -27.6 65.68 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.975 1.422 . . . . 1.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.696 ' N ' ' O ' ' A' ' 51' ' ' ILE . 16.8 tp -64.72 -53.46 46.97 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.018 1.449 . . . . 1.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -80.68 -5.6 57.23 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.022 1.451 . . . . 1.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -83.07 -2.96 56.71 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 1.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -97.48 -82.27 0.42 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.977 1.423 . . . . 1.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -87.13 -34.64 19.01 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.995 1.434 . . . . 1.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 78.79 73.52 0.05 OUTLIER 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.032 1.458 . . . . 1.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.665 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -86.58 -168.95 2.42 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.983 1.427 . . . . 1.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.445 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 6.4 m -114.53 103.62 15.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 124.986 1.429 . . . . 1.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.504 ' C ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -79.99 143.84 33.78 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.992 1.433 . . . . 1.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.678 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -129.65 60.81 54.01 Favored Pre-proline 0 C--O 1.24 0.572 0 O-C-N 125.008 1.443 . . . . 1.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 40.1 0.64 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.496 2.798 . . . . 1.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 1.9 tpm_? 173.36 90.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.041 1.463 . . . . 1.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CB ' HD11 ' A' ' 64' ' ' ILE . 19.9 tp10 -129.24 114.54 18.5 Favored Pre-proline 0 C--O 1.239 0.534 0 O-C-N 124.979 1.425 . . . . 1.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 48.5 2.01 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.555 2.837 . . . . 1.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.54 40.99 0.04 OUTLIER Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.274 -1.53 . . . . 1.0 109.274 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.561 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 33.2 t30 -137.97 59.05 17.38 Favored Pre-proline 0 C--O 1.239 0.532 0 O-C-N 125.011 1.065 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.561 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -75.03 70.96 5.18 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.474 2.783 . . . . 1.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.35 -88.0 1.2 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.281 -1.527 . . . . 1.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -141.97 -52.25 0.42 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.974 1.044 . . . . 1.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.57 -115.45 1.16 Allowed Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.903 ' O ' HG23 ' A' ' 25' ' ' THR . 0.5 OUTLIER -137.17 -157.83 0.81 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.997 1.057 . . . . 1.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.453 ' HB2' ' CG ' ' A' ' 23' ' ' LYS . 1.9 p90 -172.25 125.55 0.53 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.95 1.406 . . . . 1.0 109.272 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.563 ' N ' ' CD1' ' A' ' 77' ' ' TRP . 1.9 m0 -94.52 151.6 19.22 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.448 . . . . 1.0 109.331 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.508 ' C ' ' HB3' ' A' ' 61' ' ' PHE . 91.3 m -122.3 133.79 54.67 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.967 1.417 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 128.25 35.34 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.005 1.441 . . . . 1.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.539 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -69.9 -51.88 14.23 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 124.982 1.426 . . . . 1.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 80' ' ' ASP . 18.1 Cg_endo -75.08 42.27 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.529 2.819 . . . . 1.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 165.83 42.49 0.0 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.019 1.449 . . . . 1.0 109.33 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 84' ' ' GLU . 81.1 p -80.66 -64.62 1.15 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.954 1.409 . . . . 1.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 83' ' ' SER . 3.7 mt-10 76.02 -8.4 1.63 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.017 1.448 . . . . 1.0 109.248 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.47 -59.62 2.63 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.972 1.42 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.798 ' O ' ' HB3' ' A' ' 87' ' ' PHE . 5.3 mmt -83.2 -89.06 0.09 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.061 1.475 . . . . 1.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.798 ' HB3' ' O ' ' A' ' 86' ' ' MET . 0.1 OUTLIER 155.26 -30.05 0.0 OUTLIER 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.995 1.435 . . . . 1.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.622 ' OD2' ' CE2' ' A' ' 87' ' ' PHE . 1.7 p30 175.5 33.44 0.0 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.004 1.44 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -69.7 -49.46 53.15 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.038 1.461 . . . . 1.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 91' ' ' SER . . . -80.87 -76.35 1.04 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.364 -1.494 . . . . 1.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 90' ' ' GLY . 3.2 p 86.4 -11.29 0.63 Allowed 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.983 1.049 . . . . 1.0 109.263 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.4 t80 175.09 74.09 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.978 1.424 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.428 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 1.2 tm? . . . . . 0 C--N 1.345 0.396 0 O-C-N 124.99 1.431 . . . . 1.0 109.309 -179.987 . . . . . . . . 1 1 . 1 stop_ save_