data_1wf6_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 1wf6 _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 ' 21' ' ' PRO . . . . . 0.431 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 p -114.6 155.4 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.478 HD23 ' CB ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -50.23 -57.73 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 42.6 mt-10 -37.9 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . 8.9 m-20 -126.03 53.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -80.12 -44.67 19.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 3.6 mt-10 -59.4 -25.33 64.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -121.29 35.37 4.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -94.82 122.82 37.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 48.4 t0 -80.16 85.59 5.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 2.3 p -54.46 -33.43 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -8.21 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -75.37 -46.51 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 113' ' ' PHE . 62.3 m-85 -48.0 116.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -79.88 -1.16 37.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' GLN . . . -42.91 164.61 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 157.0 42.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -3.03 25.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -126.38 20.99 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 113' ' ' PHE . 38.6 tp -39.78 -58.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -107.25 63.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.74 124.83 23.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.54 38.65 58.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.0 m -112.3 105.83 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.4 mtm-85 -89.52 111.93 22.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.3 150.6 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.571 ' CD2' HD13 ' A' ' 74' ' ' LEU . 73.2 t80 -110.31 116.27 31.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.466 HD23 ' CG ' ' A' ' 59' ' ' LEU . 81.7 mt -87.97 130.91 34.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.18 137.25 25.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 108.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.35 -70.48 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.57 ' CE2' HD22 ' A' ' 59' ' ' LEU . 43.7 m-85 -42.02 161.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.12 -56.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.85 -132.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 50.3 mtt-85 -71.32 -38.92 71.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' ARG . 10.5 mttt -40.19 -49.27 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 51' ' ' PHE . 40.8 tp -66.88 -58.21 5.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.69 -34.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 61' ' ' ARG . 49.6 mmtt -66.74 -68.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -38.64 -40.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -57.26 -51.34 69.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 65' ' ' SER . 66.4 mtt85 -69.5 -31.16 69.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 31' ' ' VAL . 1.6 mp -69.26 -71.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.9 mt -38.65 -54.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -61.19 -44.59 97.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 2.7 t -54.81 -36.32 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -91.65 5.56 79.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.97 -20.62 27.91 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -46.82 164.88 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -119.98 122.87 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.61 106.42 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 73' ' ' GLN . 1.1 m-85 -80.32 141.27 35.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -79.35 -23.21 43.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 2.5 mt-30 -129.99 175.0 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -101.29 159.0 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.465 ' C ' ' CE1' ' A' ' 93' ' ' PHE . 35.2 m-80 -173.4 -175.71 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -74.64 -15.51 60.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -73.93 -35.46 64.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.4 t -44.67 122.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.551 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 47.3 p -99.09 -12.41 20.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 79' ' ' THR . 25.5 m80 -159.72 159.47 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.6 t -137.6 96.27 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 106' ' ' ALA . 1.2 mm -77.49 105.28 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.0 t -95.25 150.95 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.11 -34.22 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -141.64 -49.13 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.75 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.543 ' CE2' ' OD1' ' A' ' 88' ' ' ASP . 0.4 OUTLIER -168.21 145.85 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -116.43 104.71 11.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.543 ' OD1' ' CE2' ' A' ' 86' ' ' TYR . 44.2 m-20 -79.87 -56.71 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -40.04 -43.78 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' CD2' HG22 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -41.45 -48.46 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -55.94 -52.68 63.27 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -55.25 -54.01 48.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.489 ' CG ' HD21 ' A' ' 74' ' ' LEU . 35.6 t80 -53.32 -35.72 60.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -67.92 -33.1 74.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -80.51 -10.69 59.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -96.19 -79.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.7 m -99.1 157.79 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.57 99.01 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -159.77 156.45 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -125.79 92.0 47.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.0 36.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -84.88 105.16 15.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.462 HG22 ' CD2' ' A' ' 90' ' ' LEU . 85.1 t -92.03 109.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.482 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 29.7 m -135.35 177.37 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.76 148.5 18.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.478 ' CB ' HD23 ' A' ' 23' ' ' LEU . . . -41.96 -35.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.409 ' N ' HD22 ' A' ' 23' ' ' LEU . 2.0 tttt -40.73 -48.31 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.553 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 35.5 t90 -57.73 -61.16 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' TRP . 0.7 OUTLIER -39.36 -49.14 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 mt -56.08 -64.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.475 ' CB ' HD12 ' A' ' 119' ' ' LEU . 4.3 mm-40 -42.14 -42.0 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 71.9 m -58.34 -57.8 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.581 ' CD1' HD21 ' A' ' 40' ' ' LEU . 21.5 m-85 -68.46 -8.71 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.8 t -91.81 -44.05 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 1.6 mmtt -80.11 -21.62 43.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.78 -9.96 68.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.543 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 13.0 p90 -140.47 156.66 46.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.7 mtp -63.99 142.12 58.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.543 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 1.1 mt -116.15 176.74 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 58.5 m -64.84 146.26 55.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.524 ' OE2' ' CD2' ' A' ' 108' ' ' TRP . 1.6 mm-40 -96.19 -24.22 16.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.614 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.3 mt-10 -55.27 -44.39 99.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.16 5.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.482 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 69.4 m-85 -139.45 41.33 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 24.2 mm -85.36 140.68 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -101.67 109.96 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.0 p -119.27 159.41 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -53.4 -58.11 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.52 -21.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -122.26 60.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.87 -41.43 9.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.04 -37.86 84.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -103.82 45.73 0.95 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' A' ' 26' ' ' LEU . 21.5 tp -102.74 149.75 24.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -114.74 80.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 7.2 p -54.06 -23.33 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -15.24 60.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -47.46 62.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CG ' ' HB3' ' A' ' 113' ' ' PHE . 45.9 m-85 -46.49 124.46 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ALA . 9.8 mm-40 -94.0 -1.75 54.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' CB ' HD23 ' A' ' 40' ' ' LEU . . . -44.06 166.65 0.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 154.81 42.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.432 1.754 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.18 -5.34 31.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -120.76 19.32 11.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 66' ' ' GLY . 37.7 tp -39.95 -58.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -104.59 66.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.98 123.29 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.59 37.68 93.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.5 m -119.4 108.79 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.545 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 4.4 mtt180 -91.88 109.26 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mp -110.3 154.47 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 74' ' ' LEU . 4.0 t80 -118.07 123.49 45.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 HD21 ' CG ' ' A' ' 59' ' ' LEU . 91.9 mt -89.56 129.74 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.54 139.09 45.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . 93.75 -68.91 1.47 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE1' ' CA ' ' A' ' 84' ' ' GLY . 30.3 m-85 -37.52 154.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -153.03 -68.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.96 -145.03 0.47 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -44.16 -45.0 8.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' CB ' HD11 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -42.85 -47.93 5.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 57' ' ' ASP . 35.9 tp -71.94 -63.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -35.49 -40.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' ARG . 14.1 mmtt -55.67 -69.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -41.99 -48.34 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -48.62 -41.58 31.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LYS . 85.3 mtt180 -75.9 -35.38 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 31' ' ' VAL . 2.7 mp -67.39 -69.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' LEU . 15.8 mt -37.29 -56.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -47.63 85.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' LEU . 9.4 t -55.19 -29.44 57.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -92.01 -15.9 52.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.52 -16.62 54.78 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.88 161.2 5.01 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 t -111.38 116.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 101.55 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 1.1 m-30 -76.55 121.95 23.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -74.81 -17.41 60.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -129.75 152.9 48.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -98.35 162.11 13.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 1.2 p-10 157.47 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -64.36 93.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 165.91 -34.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.476 ' CG1' HG21 ' A' ' 81' ' ' VAL . 51.1 t -54.83 115.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 50.4 p -85.89 -19.48 30.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.474 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 23.0 m80 -155.25 161.68 41.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.476 HG21 ' CG1' ' A' ' 78' ' ' VAL . 40.6 t -140.18 96.24 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.3 mm -78.57 108.64 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.565 HG11 ' CD2' ' A' ' 126' ' ' HIS . 82.9 t -93.71 131.13 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.581 ' CA ' ' CE1' ' A' ' 51' ' ' PHE . . . -94.1 -40.68 4.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -133.54 -47.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 85' ' ' ASP . 2.9 m-85 -151.21 176.78 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.29 75.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' GLU . 58.7 m-20 -82.88 -48.15 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.2 OUTLIER -37.79 -39.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.58 ' HB3' ' CZ3' ' A' ' 94' ' ' TRP . 4.1 mm? -47.9 -54.53 12.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' LEU . 19.7 mttt -38.39 -56.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.89 -53.73 24.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 75' ' ' ASN . 14.9 t80 -64.3 -32.61 74.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 26.2 m0 -74.38 -11.55 60.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -101.61 -0.32 34.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.228 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -110.61 -83.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -96.47 158.16 15.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.5 98.42 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -163.81 136.3 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.79 100.54 46.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.54 8.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -86.95 102.33 14.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.402 HG12 ' CG2' ' A' ' 83' ' ' VAL . 71.0 t -88.89 96.47 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 121' ' ' GLU . 28.4 m -122.99 175.74 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.3 150.63 17.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.434 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . . . -41.39 -36.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -38.89 -43.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.595 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 49.8 t90 -63.82 -64.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 108' ' ' TRP . 0.5 OUTLIER -38.96 -52.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.7 mt -50.46 -64.47 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.5 mm-40 -47.41 -41.07 19.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 31.2 m -53.84 -56.79 14.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.494 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 37.0 m-85 -68.63 -38.19 80.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -61.9 -41.87 98.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.14 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.2 mmtt -79.86 -25.98 40.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.71 -11.53 66.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.698 ' CZ ' ' CD2' ' A' ' 119' ' ' LEU . 9.1 p90 -140.37 149.16 42.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.477 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 60.7 mtp -59.88 140.76 56.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.698 ' CD2' ' CZ ' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -116.29 177.15 4.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.454 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 9.8 m -62.88 144.56 56.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 104' ' ' VAL . 0.8 OUTLIER -95.89 -10.14 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 21.4 mt-10 -66.53 -42.87 49.36 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.93 2.83 6.15 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.474 ' CB ' ' HB2' ' A' ' 108' ' ' TRP . 97.3 m-85 -140.23 42.48 1.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 25.7 mm -84.9 145.59 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.565 ' CD2' HG11 ' A' ' 83' ' ' VAL . 3.6 t-80 -106.5 110.77 23.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.614 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -117.03 152.96 33.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -43.08 -58.89 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.13 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -76.12 57.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.409 ' CD1' HD22 ' A' ' 29' ' ' LEU . 21.2 tp -96.74 -27.46 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.66 -42.91 70.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -96.14 36.36 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 26' ' ' LEU . 9.4 tp -92.32 158.84 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.401 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 19.3 t0 -120.41 84.65 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.526 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 7.2 p -53.45 -23.37 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -20.34 59.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.47 73.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.544 ' CE2' HD23 ' A' ' 62' ' ' LEU . 38.5 m-85 -45.73 119.11 2.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 13.2 tt0 -90.23 -0.91 57.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' CB ' ' HA2' ' A' ' 116' ' ' GLY . . . -44.66 168.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.43 41.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -76.13 -3.32 35.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -123.95 21.42 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' ASP . 51.3 tp -40.46 -59.16 1.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -102.36 54.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.51 131.3 49.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.63 42.46 20.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.26 109.32 13.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 3.7 mtm-85 -91.13 111.19 22.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.68 151.37 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CD2' ' HG ' ' A' ' 74' ' ' LEU . 9.9 t80 -114.34 120.16 39.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.482 HD21 ' CG ' ' A' ' 59' ' ' LEU . 44.9 mt -82.73 120.65 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.496 ' SG ' ' CG1' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -124.09 130.75 53.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 108.351 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.33 63.1 3.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 22.0 m-85 -153.16 128.97 10.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.54 133.32 4.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.962 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.37 -111.56 4.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 mtt85 -90.54 -49.99 6.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -45.76 -42.03 11.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 57' ' ' ASP . 9.5 tp -71.22 -68.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 56' ' ' LEU . 2.5 t0 -34.6 -47.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -52.1 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.512 ' CD2' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -47.29 -48.95 24.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 10.8 mtm180 -47.79 -43.8 27.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -73.62 -41.29 62.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.544 HD23 ' CE2' ' A' ' 34' ' ' PHE . 1.3 mp -58.48 -67.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.2 mt -40.89 -54.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -45.51 90.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 t -55.65 -37.44 68.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.05 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -87.38 0.39 85.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.88 -13.92 54.64 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.401 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -51.85 160.75 2.16 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 t -112.65 116.16 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.1 ttp-105 -80.8 105.35 11.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.485 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -79.92 124.02 28.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -75.79 -16.45 60.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -126.57 167.97 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -107.98 160.86 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.426 ' CG ' ' C ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER 170.23 -176.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.07 -16.09 63.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.25 -44.31 72.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.8 t -43.93 128.65 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.532 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.4 p -105.81 -9.99 16.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 79' ' ' THR . 26.7 m80 -158.95 157.2 30.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.496 ' CG1' ' SG ' ' A' ' 49' ' ' CYS . 36.1 t -137.01 99.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 1.2 mm -81.53 103.97 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.461 HG22 ' CG1' ' A' ' 103' ' ' VAL . 49.0 t -86.21 122.83 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.41 -47.24 3.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.546 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 1.5 t0 -122.74 -46.35 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.546 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 8.1 p90 -164.45 153.75 13.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.75 85.67 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' LYS . 86.8 m-20 -93.51 -52.33 4.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -37.58 -36.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.582 ' HB3' ' CZ3' ' A' ' 94' ' ' TRP . 2.8 mm? -50.65 -52.06 43.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' ASP . 13.3 mttt -38.69 -53.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -55.48 -54.53 42.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -57.26 -43.82 83.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.582 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 16.3 m0 -63.8 -27.42 69.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.11 -10.02 59.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.89 -83.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 63.0 m -95.64 157.73 15.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.52 98.92 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -155.4 149.37 25.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.566 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -125.46 90.46 50.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 166.66 28.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -78.32 101.79 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.631 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.461 ' CG1' HG22 ' A' ' 83' ' ' VAL . 97.1 t -90.2 96.88 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.478 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 35.4 m -124.8 178.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.37 151.54 17.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.466 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.58 -37.95 1.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' ALA . 16.1 tttt -38.68 -48.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.554 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 54.2 t90 -52.42 -67.45 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 108' ' ' TRP . 10.6 tp -40.02 -59.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 109' ' ' LEU . 42.1 mt -39.91 -62.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 1.9 mm-40 -55.38 -41.86 73.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 43.2 m -52.21 -51.2 59.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 24.0 m-85 -71.97 -43.96 64.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.0 t -56.53 -39.38 73.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.4 mmtt -80.89 -25.46 37.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.44 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 94.61 -11.15 70.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.689 ' CZ ' ' CD2' ' A' ' 119' ' ' LEU . 11.7 p90 -139.46 148.24 42.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 75.6 mtp -59.98 137.66 58.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.689 ' CD2' ' CZ ' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -111.56 176.92 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.454 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 2.6 p -62.04 147.02 48.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 125' ' ' ILE . 3.7 mt-10 -95.66 -11.16 27.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 18.9 mt-10 -65.7 -43.76 61.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.98 11.59 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.478 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 96.6 m-85 -149.85 43.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 26.1 mm -90.49 149.84 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.437 ' CD2' HG12 ' A' ' 83' ' ' VAL . 1.9 t-80 -114.04 107.49 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 p -96.27 173.91 7.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' CD2' ' HB2' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -63.47 -63.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.23 -56.52 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -88.14 58.82 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 29' ' ' LEU . 50.8 tp -98.05 -35.28 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.587 1.179 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -65.8 -48.64 71.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -73.49 -28.93 62.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.548 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 2.0 tp -46.15 141.28 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 12.0 t0 -108.12 93.58 4.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 1.7 p -52.44 -35.92 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -64.25 -10.9 26.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -73.58 -46.7 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.548 ' CZ ' HD12 ' A' ' 29' ' ' LEU . 52.9 m-85 -48.61 126.47 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -92.22 4.79 52.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.73 167.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 167.63 26.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -86.5 10.78 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.33 22.56 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 116' ' ' GLY . 54.2 tp -41.76 -67.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD12 ' CZ ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -93.29 54.24 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.64 128.08 34.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.97 40.29 72.43 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.6 m -123.26 114.73 20.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.446 ' CD ' ' CE1' ' A' ' 71' ' ' PHE . 9.9 mtm-85 -95.58 111.32 23.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.31 156.58 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.519 ' CZ ' HD22 ' A' ' 74' ' ' LEU . 70.6 t80 -120.2 123.25 42.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 59' ' ' LEU . 97.0 mt -92.52 129.77 38.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -145.27 139.08 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.58 69.05 1.42 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.68 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 7.2 m-85 -147.48 -78.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.415 ' N ' ' HB2' ' A' ' 56' ' ' LEU . 4.0 p 53.33 173.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.84 -157.72 15.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -55.51 -46.35 76.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' CB ' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -40.2 -50.0 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HB2' ' N ' ' A' ' 52' ' ' SER . 27.5 tp -66.15 -57.22 8.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.46 -42.12 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ARG . 46.6 mmtt -55.16 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.68 ' CD2' ' CZ ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -42.19 -48.84 4.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -49.41 -40.41 36.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' LYS . 77.6 mtt180 -78.52 -40.67 34.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.552 ' O ' ' CZ ' ' A' ' 113' ' ' PHE . 1.0 OUTLIER -60.88 -65.82 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.457 ' CD1' HD12 ' A' ' 48' ' ' LEU . 16.5 mt -39.3 -54.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.85 -45.14 82.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -58.67 -23.5 59.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -97.92 -14.84 38.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.65 -15.77 61.43 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.22 167.83 0.82 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.2 t -118.14 117.92 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.49 ' CZ ' ' OD1' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -78.46 105.58 9.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.446 ' CE1' ' CD ' ' A' ' 45' ' ' ARG . 1.3 m-85 -79.68 129.56 34.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.49 ' OD1' ' CZ ' ' A' ' 70' ' ' ARG . 2.2 m120 -96.15 10.42 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -143.13 149.65 38.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.519 HD22 ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -93.26 122.23 35.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -154.28 -177.22 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -74.14 -26.84 60.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -57.07 -34.86 68.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.48 130.23 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.454 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 50.2 p -105.15 -14.63 15.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.454 ' ND1' ' C ' ' A' ' 79' ' ' THR . 21.2 m80 -155.95 159.04 38.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.97 104.71 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 mm -85.6 112.69 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.4 t -101.87 138.5 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.9 -44.92 1.69 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 3.8 m-20 -124.46 -45.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 11.0 p90 -167.74 165.15 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 15.6 p-10 -130.55 100.06 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' GLU . 9.5 m-20 -93.73 -54.61 3.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' ASP . 2.6 tt0 -38.23 -45.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.569 HD23 ' CZ2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -44.97 -57.27 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -40.07 -44.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.74 -46.65 81.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 11.9 t80 -64.1 -25.79 68.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.569 ' CZ2' HD23 ' A' ' 90' ' ' LEU . 5.9 m0 -75.43 -23.16 56.93 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -90.93 -7.85 50.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -99.74 -72.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.406 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 68.5 m -103.69 157.8 16.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -99.74 99.3 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -162.15 149.27 13.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.564 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -121.2 91.3 48.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.66 30.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.406 ' CB ' ' OE1' ' A' ' 121' ' ' GLU . 21.0 m-70 -83.4 102.52 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.592 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.5 t -91.49 94.6 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.499 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 27.2 m -120.68 174.63 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.77 149.72 18.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.438 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . . . -41.56 -37.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' ALA . 6.0 tttm -38.34 -41.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.456 ' HB2' ' CB ' ' A' ' 124' ' ' TYR . 50.0 t90 -63.32 -69.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.5 tp -41.56 -48.42 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 mt -48.58 -63.52 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.476 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.5 mm-40 -51.11 -44.66 61.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 73.4 m -51.06 -59.61 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.552 ' CZ ' ' O ' ' A' ' 62' ' ' LEU . 23.6 m-85 -63.47 -7.47 6.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.476 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.69 -41.77 11.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.2 OUTLIER -87.48 -25.2 23.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . 97.75 -12.51 64.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.665 ' CZ ' ' CD2' ' A' ' 119' ' ' LEU . 4.5 p90 -129.54 145.72 51.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 70.5 mtp -60.35 143.95 51.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.665 ' CD2' ' CZ ' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -117.14 176.82 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.44 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 23.5 m -64.0 147.06 52.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.417 ' O ' HG12 ' A' ' 125' ' ' ILE . 29.5 mt-10 -95.48 -19.45 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 21.0 mt-10 -55.79 -44.22 99.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.12 5.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 97.6 m-85 -141.76 44.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.446 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 31.1 mm -87.87 149.52 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -111.53 107.66 16.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.5 p -122.62 165.53 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.609 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -62.27 -62.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -42.58 -26.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 23' ' ' LEU . 1.3 m-20 -120.0 58.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.464 HD23 ' CD2' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -86.14 -35.96 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -66.87 -35.53 80.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -105.48 38.18 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 58' ' ' LYS . 14.2 tp -100.66 136.99 39.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -97.96 98.03 9.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.476 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -69.44 -19.36 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.62 6.22 32.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.7 -44.46 8.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 113' ' ' PHE . 65.8 m-85 -47.66 118.62 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 17.7 tt0 -87.57 -2.43 58.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' CB ' ' HA2' ' A' ' 116' ' ' GLY . . . -45.3 169.91 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 157.4 43.01 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.36 -2.29 24.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.02 27.71 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' CD2' ' CD1' ' A' ' 113' ' ' PHE . 38.5 tp -46.49 -62.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -101.08 41.17 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.401 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 4.7 t0 -46.27 128.38 9.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.06 42.45 39.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 42' ' ' ASP . 58.7 m -119.21 110.19 16.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 5.3 mtt-85 -93.21 109.54 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.472 ' CG2' HG12 ' A' ' 82' ' ' ILE . 1.6 mt -110.29 140.86 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 74' ' ' LEU . 27.9 t80 -94.91 114.66 26.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 63.9 mt -84.31 116.61 23.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' PHE . 4.4 t -117.9 163.68 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.317 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.08 -65.52 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.682 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 18.6 m-85 -37.46 140.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 t -156.41 -49.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.039 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.84 -116.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -81.14 -43.5 19.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 3.2 mttt -40.04 -40.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASP . 18.2 tp -71.8 -64.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' LEU . 8.6 t0 -39.85 -45.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 29' ' ' LEU . 24.6 mmtt -56.65 -61.91 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.682 ' CD1' ' CE2' ' A' ' 51' ' ' PHE . 71.0 mt -48.81 -50.91 32.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG2' ' CD ' ' A' ' 70' ' ' ARG . 63.2 mtp180 -43.71 -26.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 59' ' ' LEU . 91.7 mtt180 -92.51 -39.39 11.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.542 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -64.56 -63.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 3.2 mt -48.63 -31.17 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.03 -47.16 16.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -48.09 70.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -72.32 -2.08 53.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.31 -15.57 53.35 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -48.42 172.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.94 113.39 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -76.03 120.04 20.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -103.38 124.64 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -78.19 -18.73 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -119.41 164.45 15.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -105.31 158.6 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 167.82 173.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -56.57 -16.86 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -70.96 -27.04 63.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.95 125.48 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.559 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 31.9 p -101.65 -12.49 18.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 79' ' ' THR . 23.6 m80 -159.96 143.69 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.7 t -122.18 102.74 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 46' ' ' ILE . 1.5 mm -83.17 100.79 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.565 HG13 ' CD2' ' A' ' 126' ' ' HIS . 87.2 t -82.06 138.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.13 -17.18 5.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -132.54 -69.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.504 ' CG ' ' N ' ' A' ' 87' ' ' ASP . 8.3 p90 -159.02 -40.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' N ' ' CG ' ' A' ' 86' ' ' TYR . 6.2 m-20 68.1 110.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.412 ' HB2' ' CE2' ' A' ' 86' ' ' TYR . 1.8 t0 -94.42 -45.2 7.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' GLN . 2.3 tt0 -44.87 -41.64 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 103' ' ' VAL . 1.1 tp -46.6 -35.65 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -71.31 -41.78 69.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -67.6 -47.84 68.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.411 ' CG ' HD22 ' A' ' 74' ' ' LEU . 32.4 t80 -56.17 -30.67 62.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -71.56 -20.89 61.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 107.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -6.14 42.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -99.55 -82.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.8 m -93.86 157.84 15.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.961 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.16 98.9 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -164.06 153.12 13.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.633 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.25 89.49 51.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.361 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 155.78 43.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.438 1.757 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 64.0 m-70 -71.59 101.6 2.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.562 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.512 ' CG1' HG21 ' A' ' 83' ' ' VAL . 46.7 t -87.78 94.72 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 33.3 m -129.41 179.29 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -107.1 150.52 16.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.609 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -42.17 -37.35 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.429 ' N ' HD22 ' A' ' 23' ' ' LEU . 7.9 tttt -39.72 -43.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 36.2 t90 -57.96 -65.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' CYS . 18.2 tp -40.74 -58.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' LEU . 23.9 mt -39.12 -59.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 1.2 mm-40 -57.18 -39.02 74.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 34.3 m -54.44 -50.21 68.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.557 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 28.5 m-85 -74.68 -43.13 56.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.3 t -56.59 -40.19 74.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.6 mmtt -80.61 -25.77 38.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.431 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 98.18 -13.72 63.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.699 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 4.1 p90 -139.45 150.61 45.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 37.3 mtp -61.1 140.08 57.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.699 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -113.71 177.01 4.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.463 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 52.9 m -61.7 143.23 56.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.058 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.424 ' HB3' ' CG1' ' A' ' 104' ' ' VAL . 0.7 OUTLIER -95.97 -10.99 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 26.5 mt-10 -66.62 -43.04 49.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.6 Cg_endo -74.94 3.02 5.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.462 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 80.0 m-85 -136.56 38.03 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 18.3 mm -83.59 149.24 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.565 ' CD2' HG13 ' A' ' 83' ' ' VAL . 27.4 t60 -113.88 116.79 29.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.0 p -116.47 173.39 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD12 ' CB ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -71.11 -54.03 12.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -40.48 -30.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' LEU . 2.1 m-80 -129.0 51.4 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -77.61 -35.84 52.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -74.06 -15.43 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -107.35 -8.86 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.9 128.18 34.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 13.9 t70 -89.1 94.01 9.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.476 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 p -51.85 -34.92 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -63.22 -14.56 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -69.51 -47.65 63.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 113' ' ' PHE . 55.2 m-85 -46.99 122.24 4.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -92.8 1.89 57.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.08 168.22 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.22 41.5 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.87 -0.08 22.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -126.71 18.87 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' GLY . 36.9 tp -39.4 -52.39 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' ' CA ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -109.61 66.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -73.72 128.31 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.53 41.81 49.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.9 m -118.4 118.29 31.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.556 ' HD2' ' CZ ' ' A' ' 71' ' ' PHE . 38.9 mtm-85 -97.56 109.75 22.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 80' ' ' HIS . 2.4 mt -113.49 154.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CD2' ' HG ' ' A' ' 74' ' ' LEU . 4.5 t80 -119.04 119.04 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 68.4 mt -84.72 129.6 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.77 140.98 34.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 108.292 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.8 40.49 57.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.528 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 27.7 m-85 -139.3 132.79 30.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.0 p -160.03 139.74 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.79 -118.37 5.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -52.43 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -41.52 -55.98 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' ASP . 8.3 tp -60.12 -61.2 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -39.67 -46.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -56.63 -68.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.528 ' CD2' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -47.01 -43.32 19.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -54.32 -36.26 63.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -81.14 -34.87 32.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.225 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 34' ' ' PHE . 2.5 mp -63.05 -68.58 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' LEU . 5.4 mt -38.77 -55.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -59.18 -44.65 92.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 45.1 t -60.29 -21.65 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -101.56 -13.1 33.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.6 -12.1 67.88 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -53.42 155.0 6.54 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t -100.57 109.4 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -75.78 101.1 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CZ ' ' HD2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -78.06 123.58 27.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -76.34 -14.6 60.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -132.64 172.33 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -107.98 168.95 8.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 166.22 -174.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -73.4 -3.25 26.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -43.82 15.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.47 HG12 ' CG2' ' A' ' 81' ' ' VAL . 78.4 t -45.55 131.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.55 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 72.7 p -105.42 -16.16 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.595 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 1.7 m80 -161.19 142.39 11.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.47 ' CG2' HG12 ' A' ' 78' ' ' VAL . 25.6 t -124.0 107.43 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.3 mm -75.75 102.46 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.587 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 72.8 t -95.34 114.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.16 -71.53 1.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -106.22 -34.75 7.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -176.26 164.33 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -131.06 117.39 19.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -92.62 -56.64 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -42.32 -50.29 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.59 HD22 ' CZ2' ' A' ' 94' ' ' TRP . 0.2 OUTLIER -47.78 -60.45 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' LEU . 77.3 mttt -38.69 -41.42 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -46.8 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 90' ' ' LEU . 49.5 t80 -60.3 -23.41 64.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.59 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 6.2 m0 -74.01 -12.99 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 108.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -117.05 11.3 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -107.78 -77.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.8 m -105.39 158.12 16.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.2 97.34 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -162.68 152.75 16.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.611 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.11 90.79 50.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.72 24.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.595 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 81.0 m-70 -62.54 99.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 0.4 OUTLIER -88.68 121.26 38.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.466 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 26.8 m -147.29 175.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.35 150.06 18.0 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.442 ' CB ' HD12 ' A' ' 23' ' ' LEU . . . -42.04 -36.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -41.51 -45.6 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.599 ' CZ3' ' OE2' ' A' ' 121' ' ' GLU . 58.1 t90 -55.11 -68.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 108' ' ' TRP . 12.7 tp -39.77 -51.11 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 74.8 mt -49.27 -56.45 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.7 mm-40 -60.55 -35.89 77.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 30.8 m -58.04 -58.77 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.524 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 35.8 m-85 -67.43 -33.54 75.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.4 t -65.63 -43.32 89.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.1 mmtt -79.86 -19.66 47.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 89.0 -13.06 64.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.683 ' CZ ' ' CD2' ' A' ' 119' ' ' LEU . 21.3 p90 -136.58 138.04 40.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 85.3 mtp -54.07 134.52 43.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.683 ' CD2' ' CZ ' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -106.88 176.6 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.463 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 60.6 m -60.52 141.73 56.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.599 ' OE2' ' CZ3' ' A' ' 108' ' ' TRP . 2.6 mt-10 -96.06 -12.68 24.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 23.5 mt-10 -67.36 -44.24 45.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.96 2.1 6.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.466 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 76.2 m-85 -137.03 37.54 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.458 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 11.3 mm -78.52 135.92 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.587 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 5.7 t60 -99.02 107.02 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.644 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.8 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -109.05 164.07 12.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD22 ' CB ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -59.64 -54.47 46.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.5 -52.92 33.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -88.93 54.39 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.2 tp -97.2 -27.55 14.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -77.61 -44.34 28.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -81.11 -10.26 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -65.88 141.92 58.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 18.6 t0 -103.38 94.11 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.477 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 1.5 p -55.68 -34.76 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -10.53 35.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -72.28 -47.81 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.564 ' CE2' HD11 ' A' ' 29' ' ' LEU . 63.7 m-85 -50.09 130.28 22.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -98.67 10.16 41.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.98 169.78 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 166.0 30.03 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -83.39 3.01 33.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -134.46 23.21 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 116' ' ' GLY . 44.1 tp -38.93 -67.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB2' ' CA ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -87.78 54.88 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.44 117.86 14.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.51 77.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.0 m -125.98 105.53 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.53 ' HA ' HG12 ' A' ' 69' ' ' VAL . 73.1 mtm180 -89.43 112.07 23.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mp -103.72 163.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.603 ' CE2' ' CD2' ' A' ' 74' ' ' LEU . 55.4 t80 -126.26 113.96 17.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' A' ' 63' ' ' ILE . 67.8 mt -82.22 130.16 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -147.38 108.72 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.248 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.64 52.95 1.08 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' A' ' 59' ' ' LEU . 44.7 m-85 -151.08 132.15 14.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.2 t -163.42 148.58 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.964 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.48 -102.5 2.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.74 -54.64 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -40.55 -46.11 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' ASP . 3.4 tp -67.01 -63.07 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -38.41 -36.21 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 44.4 mmtt -64.24 -67.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -46.04 -34.99 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.465 ' HG2' ' CD ' ' A' ' 70' ' ' ARG . 3.4 mtt-85 -62.17 -43.59 98.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -76.73 -38.21 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -63.07 -67.25 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.477 ' CD1' HD12 ' A' ' 48' ' ' LEU . 28.2 mt -39.64 -54.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -57.62 -43.52 84.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' LEU . 12.7 t -60.16 -23.04 63.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -104.1 -6.52 42.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.22 -9.57 66.43 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -56.49 171.85 2.18 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -101.77 169.35 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' CD ' ' HG2' ' A' ' 60' ' ' ARG . 49.0 ttp85 -136.72 85.16 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE1' HG11 ' A' ' 69' ' ' VAL . 3.2 m-85 -82.66 157.4 23.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -120.66 -0.32 10.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -127.2 146.38 50.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.603 ' CD2' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -87.57 122.91 31.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.43 ' ND2' HG22 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -147.01 -173.39 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -80.82 -27.26 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -33.51 72.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.43 HG22 ' ND2' ' A' ' 75' ' ' ASN . 65.4 t -55.33 124.24 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.476 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 52.6 p -103.05 -11.21 18.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.41 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.476 ' ND1' ' C ' ' A' ' 79' ' ' THR . 38.1 m80 -155.12 152.62 29.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.3 t -134.2 104.84 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 mm -85.12 109.45 18.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.489 HG11 ' CD2' ' A' ' 126' ' ' HIS . 19.5 t -98.08 121.23 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -88.54 -42.98 5.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.29 -44.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -167.59 173.38 8.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -142.47 106.82 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.61 -49.34 5.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.0 OUTLIER -41.89 -52.97 3.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.494 HD23 ' CH2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -40.95 -58.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LEU . 50.7 mttt -39.38 -39.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -73.52 -45.87 51.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' LEU . 40.6 t80 -62.28 -29.12 70.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.494 ' CH2' HD23 ' A' ' 90' ' ' LEU . 2.6 m0 -72.21 -17.95 61.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -102.89 7.69 39.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -111.59 -82.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 m -97.41 157.8 15.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.54 98.53 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -159.41 150.2 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.613 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -120.06 91.05 45.29 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.03 39.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.49 ' CG ' ' OE1' ' A' ' 121' ' ' GLU . 16.4 m-70 -85.05 102.03 12.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.643 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.7 t -90.98 110.65 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.505 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 28.5 m -138.54 172.98 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.48 151.86 19.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.435 ' CB ' HD22 ' A' ' 23' ' ' LEU . . . -42.09 -38.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 106' ' ' ALA . 12.3 tttt -39.78 -33.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.456 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 62.2 t90 -67.03 -69.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 41' ' ' LEU . 15.5 tp -41.0 -48.83 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 29' ' ' LEU . 74.8 mt -50.18 -62.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.531 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 3.6 mm-40 -52.17 -42.69 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.456 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 74.7 m -52.46 -56.08 17.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.542 ' CD2' HD22 ' A' ' 62' ' ' LEU . 28.1 m-85 -67.69 -5.42 15.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.531 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.22 -42.9 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -85.29 -26.32 26.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . 106.68 -18.65 37.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -128.55 168.73 15.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 26.6 mtp -73.02 144.54 47.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.494 ' CD1' ' HE2' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -112.36 177.31 4.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.469 ' HB2' ' CG ' ' A' ' 123' ' ' PRO . 72.4 m -67.68 150.29 48.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.49 ' OE1' ' CG ' ' A' ' 102' ' ' HIS . 3.4 mt-10 -95.72 -31.32 13.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 19.5 mt-10 -50.97 -45.79 87.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -74.99 2.39 6.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 55.3 m-85 -141.12 44.71 1.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.444 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 29.4 mm -87.11 145.66 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.489 ' CD2' HG11 ' A' ' 83' ' ' VAL . 41.8 t60 -105.64 109.82 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.04 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.428 ' HB3' ' CD1' ' A' ' 29' ' ' LEU . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.444 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 82.0 p -109.24 159.62 16.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -58.01 -53.09 62.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -38.62 -34.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' ND2' ' OG1' ' A' ' 22' ' ' THR . 4.4 p30 -122.98 50.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.09 -34.39 56.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 23.8 mt-10 -73.02 -29.61 63.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.01 18.87 21.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 9.3 tp -78.79 161.42 26.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.426 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 22.4 t0 -125.37 87.92 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.496 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 6.5 p -54.72 -27.75 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.39 -0.61 20.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.96 -45.19 13.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CE2' HD21 ' A' ' 62' ' ' LEU . 58.9 m-85 -53.78 131.72 40.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 36' ' ' ALA . 8.6 mm-40 -100.81 0.36 38.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 35' ' ' GLN . . . -44.62 168.05 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.81 41.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -74.63 -11.24 60.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -115.36 20.51 14.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' ASP . 47.9 tp -39.58 -55.64 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -105.19 51.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.43 129.47 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.41 41.66 48.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.0 m -115.1 120.78 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -103.06 102.55 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.477 ' CG2' HG12 ' A' ' 82' ' ' ILE . 3.7 mt -108.02 157.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CZ ' HD23 ' A' ' 74' ' ' LEU . 16.5 t80 -123.89 124.01 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.485 HD21 ' CG ' ' A' ' 59' ' ' LEU . 85.9 mt -88.57 145.5 25.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' CB ' ' OD2' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -164.11 149.25 10.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.36 59.71 8.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.571 1.17 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' SER . 18.7 m-85 -147.67 -84.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER 52.49 102.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.72 -152.3 16.88 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' CD ' ' HB3' ' A' ' 27' ' ' GLU . 58.7 mtt180 -48.09 -60.08 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.304 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HE2' ' CD1' ' A' ' 23' ' ' LEU . 16.1 mttt -42.62 -44.25 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 57' ' ' ASP . 53.9 tp -66.85 -69.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 56' ' ' LEU . 19.2 t70 -37.8 -47.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -47.95 -64.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.485 ' CG ' HD21 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -50.77 -45.76 59.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -52.82 -39.04 62.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -79.8 -35.68 38.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.548 ' O ' ' CZ ' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -65.57 -67.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.453 HG13 ' CD2' ' A' ' 109' ' ' LEU . 13.7 mt -40.85 -54.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.55 -41.92 86.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' LEU . 32.5 t -64.46 -15.62 61.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -109.05 -1.88 31.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.88 -12.29 53.73 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.415 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -54.25 159.88 4.86 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.508 HG13 ' CD1' ' A' ' 71' ' ' PHE . 7.2 t -107.09 110.53 32.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.776 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -82.93 96.45 8.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CD1' HG13 ' A' ' 69' ' ' VAL . 1.3 m-30 -75.3 149.25 38.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -114.63 -3.87 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -118.82 144.32 46.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -88.69 117.82 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.76 164.16 38.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.35 -18.43 17.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -41.14 98.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.4 t -51.66 132.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.571 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 43.9 p -105.22 -17.38 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.609 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 0.5 OUTLIER -161.82 142.94 10.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.648 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' HIS . 42.7 t -120.7 106.89 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.477 HG12 ' CG2' ' A' ' 46' ' ' ILE . 1.7 mm -75.26 101.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.579 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 60.5 t -98.41 125.99 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.77 -52.9 2.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -120.38 -43.94 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -174.88 154.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.502 ' OD2' ' CB ' ' A' ' 49' ' ' CYS . 4.2 t0 -120.9 112.31 18.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.436 ' OD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.5 m-20 -75.26 -56.9 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -56.98 5.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.27 -61.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -41.14 -47.69 3.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -69.44 -52.32 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.575 ' CD2' HD11 ' A' ' 74' ' ' LEU . 45.5 t80 -55.05 -25.86 33.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -72.39 -12.32 61.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -117.65 12.42 14.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -111.26 -76.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.8 m -97.72 157.75 15.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.66 98.29 10.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -165.48 157.88 15.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.586 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -126.47 90.25 50.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.57 24.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.609 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 82.4 m-70 -61.74 99.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.585 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -89.49 116.8 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 35.3 m -144.59 176.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.6 149.6 17.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.103 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.464 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.73 -37.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 106' ' ' ALA . 11.4 tttt -39.5 -46.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.598 ' CH2' ' OE2' ' A' ' 121' ' ' GLU . 53.2 t90 -54.19 -66.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 107.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.453 ' CD2' HG13 ' A' ' 63' ' ' ILE . 8.2 tp -39.97 -53.72 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' SER . 30.6 mt -46.92 -60.38 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.4 mm-40 -55.1 -38.09 67.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.58 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 57.0 m -59.26 -58.27 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.27 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 62' ' ' LEU . 28.6 m-85 -67.36 -24.28 65.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 110' ' ' LEU . 18.5 t -76.4 -39.65 53.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.7 mmtt -82.18 -25.45 34.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.83 -14.17 63.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.705 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 3.7 p90 -138.63 140.26 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 70.3 mtp -52.83 137.33 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.705 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 1.7 mt -110.5 175.1 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.482 ' HB2' ' CG ' ' A' ' 123' ' ' PRO . 50.7 m -56.73 139.07 51.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.598 ' OE2' ' CH2' ' A' ' 108' ' ' TRP . 2.9 mt-10 -96.06 -10.05 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.631 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 15.0 mt-10 -70.39 -43.85 17.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.96 3.68 5.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 69.9 m-85 -137.05 33.24 2.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.468 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 5.7 mm -73.62 138.67 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.579 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 7.9 t60 -100.28 105.78 17.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.589 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 29' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.6 p -102.99 165.29 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -57.6 12.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.43 -22.61 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -121.69 61.32 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -93.21 -46.26 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.29 -28.73 65.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -111.53 41.93 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 25.5 tp -100.31 154.8 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 33' ' ' ALA . 63.2 t0 -118.91 83.3 2.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -52.74 -23.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.03 20.5 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -105.8 -42.8 5.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.477 ' CG ' ' HB3' ' A' ' 113' ' ' PHE . 79.4 m-85 -55.26 121.01 7.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -79.22 -1.91 38.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.26 164.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.8 42.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.567 1.825 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.27 1.46 21.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.87 19.54 7.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 66' ' ' GLY . 45.9 tp -40.97 -59.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -100.91 63.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.14 123.36 25.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.32 37.54 87.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.9 m -123.64 109.72 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HB3' ' HA ' ' A' ' 78' ' ' VAL . 8.0 mtm-85 -88.62 126.01 35.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mp -125.9 148.2 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' CD2' HD22 ' A' ' 74' ' ' LEU . 82.5 t80 -114.53 119.07 35.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.499 HD22 ' CG ' ' A' ' 59' ' ' LEU . 44.5 mt -82.11 121.88 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.529 ' SG ' ' CG1' ' A' ' 81' ' ' VAL . 0.5 OUTLIER -128.6 148.87 50.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 59.29 37.95 92.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.425 ' CE2' HD23 ' A' ' 59' ' ' LEU . 20.0 m-85 -137.48 119.21 15.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.98 -66.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.13 -170.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -38.85 -36.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' CB ' HD12 ' A' ' 26' ' ' LEU . 2.5 mttt -41.73 -50.79 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 48' ' ' LEU . 10.6 tp -64.79 -59.88 3.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' LEU . 12.6 t70 -39.17 -51.1 1.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -51.01 -70.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.499 ' CG ' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -40.49 -58.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -39.58 -44.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.9 mtt-85 -73.7 -43.13 60.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.526 HD21 ' CD2' ' A' ' 113' ' ' PHE . 1.4 mp -59.56 -67.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 62' ' ' LEU . 36.8 mt -38.33 -56.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -44.89 87.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' LEU . 40.5 t -59.37 -31.78 69.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -83.65 -19.78 61.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.67 -13.02 58.07 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.401 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -64.68 161.52 39.49 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 t -107.8 121.87 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.56 108.94 19.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.633 ' CZ ' ' CB ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -85.86 115.46 23.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 72' ' ' ASN . 8.6 p-10 -73.67 -8.63 56.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -128.8 138.29 51.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -76.28 120.64 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -150.47 -174.0 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 17.6 mt-10 -82.73 8.47 12.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.633 ' CB ' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -88.09 -47.91 8.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -62.04 137.96 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.516 ' OG1' ' ND1' ' A' ' 80' ' ' HIS . 69.7 p -111.31 -11.23 14.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.0 m80 -138.63 147.68 43.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.529 ' CG1' ' SG ' ' A' ' 49' ' ' CYS . 24.4 t -128.93 94.3 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 106' ' ' ALA . 0.9 OUTLIER -76.82 99.99 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.8 t -91.43 127.08 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.46 -52.54 1.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.4 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -104.88 -49.93 3.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.4 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 7.4 p90 -171.64 170.31 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -122.16 83.38 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -94.33 -27.54 16.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -82.69 -51.74 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.487 HD11 ' CH2' ' A' ' 94' ' ' TRP . 0.4 OUTLIER -51.46 -21.32 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -72.15 -36.55 69.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.76 -42.43 95.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 97' ' ' SER . 36.7 t80 -61.71 -20.37 63.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.487 ' CH2' HD11 ' A' ' 90' ' ' LEU . 4.9 m0 -76.9 -3.86 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.05 11.36 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -118.62 -79.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.548 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 58.7 m -96.52 158.54 15.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.21 98.65 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.428 ' NE2' ' O ' ' A' ' 78' ' ' VAL . 23.4 t60 -161.13 144.97 13.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.27 89.15 53.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.32 25.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -85.69 101.5 12.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.559 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -85.52 95.6 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.456 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 26.7 m -125.52 178.0 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.04 148.14 17.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 82' ' ' ILE . . . -41.43 -37.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' ALA . 10.1 tttm -39.81 -46.79 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 57.1 t90 -54.73 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 112' ' ' CYS . 21.2 tp -39.51 -58.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 70.6 mt -41.61 -55.21 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.475 ' CB ' HD11 ' A' ' 119' ' ' LEU . 2.0 mm-40 -59.98 -35.68 75.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.511 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 46.9 m -58.71 -52.94 63.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.526 ' CD2' HD21 ' A' ' 62' ' ' LEU . 35.0 m-85 -71.67 -25.75 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.0 t -73.82 -47.45 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 3.7 mmtt -74.52 -20.98 59.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 94.84 -13.34 67.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.554 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 10.3 p90 -137.43 166.39 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.5 mtp -73.66 135.65 43.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.554 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 1.4 mt -109.03 176.73 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.2 m -63.9 145.04 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.427 ' HB3' ' CG1' ' A' ' 104' ' ' VAL . 5.5 mp0 -96.51 -22.12 17.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 33.1 mt-10 -56.81 -43.7 99.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.2 5.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.456 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 88.6 m-85 -139.19 41.71 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 25.8 mm -87.48 141.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -104.78 106.87 17.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.034 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 71.1 p -122.56 156.59 33.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.504 HD11 ' CB ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -54.89 -44.95 74.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -54.88 -18.04 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' ND2' ' OG1' ' A' ' 22' ' ' THR . 31.2 m-20 -131.57 26.22 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -55.48 -46.56 76.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 24.8 mt-10 -58.45 -37.2 74.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -111.26 42.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.86 121.99 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' N ' HD21 ' A' ' 29' ' ' LEU . 33.0 t0 -73.69 89.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 3.8 p -62.17 -16.53 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.25 -8.99 58.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -73.89 -48.22 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 113' ' ' PHE . 70.8 m-85 -46.26 119.96 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ALA . 12.6 mm-40 -92.07 0.4 57.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' GLN . . . -45.22 169.2 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.9 36.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.23 -0.75 29.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -128.73 23.9 5.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ASP . 35.7 tp -40.6 -64.89 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -89.98 54.93 2.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.34 120.02 18.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.83 32.84 70.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.6 m -129.1 105.02 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.544 ' HA ' HG11 ' A' ' 69' ' ' VAL . 29.9 mtm180 -89.41 108.98 19.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.498 ' CG2' HG12 ' A' ' 82' ' ' ILE . 1.7 mp -99.71 160.73 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.631 ' CD2' HD23 ' A' ' 74' ' ' LEU . 40.7 t80 -130.43 123.39 29.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.52 HD23 ' CD1' ' A' ' 59' ' ' LEU . 95.4 mt -84.99 133.02 34.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -147.4 110.22 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.272 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . 122.29 -68.83 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.538 ' CE2' HD11 ' A' ' 59' ' ' LEU . 33.0 m-85 -37.13 134.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.79 84.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.56 -100.05 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.461 ' CD ' ' HB3' ' A' ' 27' ' ' GLU . 78.8 mtt180 -97.11 -57.35 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.259 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.413 ' CE ' ' O ' ' A' ' 23' ' ' LEU . 1.5 mttt -41.7 -36.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.472 ' CD1' HD12 ' A' ' 48' ' ' LEU . 24.7 tp -71.01 -70.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -38.27 -35.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 70.4 mmtt -63.86 -64.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.538 HD11 ' CE2' ' A' ' 51' ' ' PHE . 18.2 mt -45.79 -39.57 8.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 23.5 mtp180 -52.7 -34.87 54.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -85.8 -36.46 20.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.517 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -68.25 -67.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.507 ' CG2' ' O ' ' A' ' 69' ' ' VAL . 21.8 mt -43.01 -50.88 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -61.25 -45.47 94.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 t -56.83 -36.32 69.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -84.42 -2.52 89.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.61 -13.52 51.85 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -57.6 171.06 3.45 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.544 HG11 ' HA ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -100.21 167.75 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -137.5 87.58 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -82.82 158.23 22.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.06 -7.64 11.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.48 ' C ' ' CE1' ' A' ' 47' ' ' TYR . 34.2 mt-30 -123.07 149.47 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.631 HD23 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.15 114.74 25.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.507 ' N ' ' ND2' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -138.89 -174.87 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.01 -33.95 44.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.69 -19.13 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.435 HG21 ' ND2' ' A' ' 75' ' ' ASN . 60.2 t -67.9 132.33 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.543 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.5 p -112.99 -9.23 13.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 79' ' ' THR . 35.3 m80 -159.26 143.43 15.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.629 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -125.39 97.56 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.498 HG12 ' CG2' ' A' ' 46' ' ' ILE . 2.9 mm -82.3 102.95 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.472 HG23 ' CG1' ' A' ' 103' ' ' VAL . 19.9 t -87.5 150.81 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -116.2 -31.79 1.8 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.25 -56.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -163.81 163.97 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -119.38 83.71 2.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -93.64 -24.85 17.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' GLN . 3.4 tp10 -74.68 -42.52 58.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.664 ' CD2' ' CZ2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -45.34 -42.78 10.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -49.83 -38.01 33.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' GLU . 2.2 mm-40 -65.44 -43.78 89.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.464 ' CD2' HD11 ' A' ' 74' ' ' LEU . 18.5 t80 -65.23 -26.59 68.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.664 ' CZ2' ' CD2' ' A' ' 90' ' ' LEU . 9.7 m0 -77.17 -13.46 59.94 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -101.59 4.25 40.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -115.4 -75.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.427 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 64.1 m -102.55 158.02 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.68 99.07 10.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -160.76 144.08 13.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.601 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.83 90.23 31.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 166.57 28.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -87.86 101.91 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.472 ' CG1' HG23 ' A' ' 83' ' ' VAL . 29.0 t -87.47 94.59 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.488 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 27.2 m -123.73 177.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 107' ' ' LYS . . . -104.09 149.07 17.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.504 ' CB ' HD11 ' A' ' 23' ' ' LEU . . . -41.36 -31.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -41.66 -47.03 3.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 42.0 t90 -57.78 -63.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -39.74 -53.91 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.3 mt -48.91 -64.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.0 mm-40 -47.69 -40.04 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.23 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 33.6 m -57.66 -48.67 78.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.574 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 31.0 m-85 -72.88 -33.96 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -68.92 -38.45 79.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.2 mmtt -82.55 -25.66 33.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.49 -13.23 65.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.703 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 4.4 p90 -138.6 152.22 47.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 89.1 mtp -61.74 140.75 58.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.703 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -115.89 177.46 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.461 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 44.9 m -64.17 145.6 55.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.479 ' O ' ' CD1' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -95.44 -10.05 30.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.656 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 30.7 mt-10 -65.43 -42.3 56.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.0 3.01 6.0 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 98.7 m-85 -142.73 48.02 1.54 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 30.2 mm -90.73 142.92 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -105.58 107.64 18.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.997 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 p -102.6 -176.3 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -78.93 -48.15 15.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.72 1.26 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' ASN . 3.9 t30 -115.04 -7.04 12.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 23' ' ' LEU . 2.0 mt -39.63 -40.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.88 -47.59 74.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ASN . 11.3 m-20 -94.52 34.46 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 26' ' ' LEU . 15.1 tp -102.92 156.14 17.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -118.6 105.45 11.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.495 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -73.8 -22.93 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.45 20.02 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.049 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.86 -43.18 4.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 113' ' ' PHE . 93.4 m-85 -50.3 128.65 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 35.6 tp60 -84.76 -10.33 57.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.481 ' CB ' ' HA2' ' A' ' 116' ' ' GLY . . . -41.35 162.9 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.1 41.75 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.11 -11.38 60.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.32 23.47 13.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.411 HD23 ' CD1' ' A' ' 113' ' ' PHE . 25.7 tp -43.29 -63.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -100.78 44.96 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -46.56 128.48 10.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.61 42.74 20.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 72.7 m -113.31 112.78 24.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.57 ' HG2' ' CE1' ' A' ' 71' ' ' PHE . 9.2 mtm-85 -93.81 105.45 17.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.523 ' CG2' HG12 ' A' ' 82' ' ' ILE . 4.0 mt -108.98 148.92 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CD1' HG13 ' A' ' 81' ' ' VAL . 3.1 t80 -110.9 130.57 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 66.7 mt -90.97 138.19 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' CG ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -148.58 106.12 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 108.289 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 100.9 55.94 0.91 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 44.3 m-85 -156.75 131.16 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.0 p -140.38 -57.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.69 -137.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -64.42 -39.22 93.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -40.51 -44.79 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ASP . 3.4 tp -68.89 -69.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -39.22 -40.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 11.5 mmtt -59.79 -68.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.514 ' CD1' ' CD2' ' A' ' 48' ' ' LEU . 52.2 mt -48.44 -39.28 22.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -56.44 -31.88 64.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' CB ' ' A' ' 65' ' ' SER . 94.6 mtt180 -94.27 -34.08 12.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.495 ' HG ' ' CG2' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -67.64 -61.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 3.5 mt -48.44 -47.76 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -43.26 80.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 13.3 t -50.26 -41.41 50.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -81.79 6.1 67.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.6 -10.05 57.07 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.87 165.69 11.14 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.4 t -118.06 112.33 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -76.56 122.26 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -103.26 111.09 23.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.946 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -69.11 -18.2 63.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -120.83 162.45 19.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -110.56 159.71 17.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER 163.19 -175.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.75 86.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 173.54 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.47 HG12 ' CG2' ' A' ' 81' ' ' VAL . 77.4 t -56.12 126.15 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.578 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 50.6 p -98.82 -17.65 18.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -162.29 143.96 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 47' ' ' TYR . 26.2 t -122.01 103.6 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.523 HG12 ' CG2' ' A' ' 46' ' ' ILE . 1.4 mm -74.28 99.72 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 90.8 t -93.69 134.94 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.72 -55.85 1.6 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.464 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 5.2 m-20 -117.3 -47.74 2.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.464 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 14.7 p90 -163.49 179.09 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.415 ' CG ' ' SG ' ' A' ' 49' ' ' CYS . 7.8 t0 -150.82 115.66 5.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.55 -41.23 11.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.3 tt0 -52.63 -55.9 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.579 HD23 ' CZ2' ' A' ' 94' ' ' TRP . 0.2 OUTLIER -40.7 -62.8 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' LEU . 32.4 mttm -38.32 -42.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.8 mm-40 -71.26 -47.53 56.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LEU . 59.8 t80 -60.11 -20.11 56.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.579 ' CZ2' HD23 ' A' ' 90' ' ' LEU . 6.5 m0 -78.73 -15.76 58.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -116.51 11.81 14.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.01 -75.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.1 m -104.9 157.94 16.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.78 97.14 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.436 ' NE2' ' O ' ' A' ' 78' ' ' VAL . 63.7 t60 -172.4 151.13 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.87 96.17 38.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.15 26.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.587 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 88.3 m-70 -62.85 100.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.577 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -88.67 113.78 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.499 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 27.4 m -143.59 179.42 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -105.76 147.08 16.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.558 1.161 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.453 ' CB ' HD22 ' A' ' 23' ' ' LEU . . . -41.31 -34.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -43.28 -46.86 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.58 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 38.1 t90 -53.88 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.48 HD22 ' CD2' ' A' ' 59' ' ' LEU . 16.6 tp -40.23 -55.11 2.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.6 mt -45.96 -52.27 11.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.4 mm-40 -62.14 -34.13 75.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.56 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 56.1 m -59.4 -57.64 12.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.518 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 49.5 m-85 -68.56 -35.09 76.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 t -59.84 -45.96 90.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 1.6 mmtt -79.34 -25.34 42.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.481 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 100.78 -15.79 58.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.609 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 14.0 p90 -132.32 159.49 39.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 92.3 mtp -71.03 130.16 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 2.4 mt -102.36 176.08 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 19.7 m -64.42 144.06 57.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.58 ' OE2' ' CZ2' ' A' ' 108' ' ' TRP . 2.3 mp0 -95.46 -20.49 19.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.617 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 18.1 mt-10 -57.09 -45.01 99.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.236 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.01 2.77 6.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 75.3 m-85 -138.76 38.92 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.488 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 16.1 mm -81.35 139.57 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.573 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 8.0 t60 -102.97 106.69 17.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.019 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.2 p -104.72 172.97 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.478 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -77.58 -58.58 3.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.84 -22.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -125.77 39.88 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 3.6 tp -85.31 -26.65 26.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.39 -27.09 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -119.08 22.21 11.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.595 HD21 ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -76.79 115.09 16.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 62.7 t0 -66.24 82.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 2.5 p -53.85 -32.24 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -6.91 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -76.01 -46.1 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 65.7 m-85 -52.34 123.23 10.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -92.79 5.34 51.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.46 168.32 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 166.01 30.09 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -82.08 4.31 23.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -133.97 21.03 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.444 ' CD1' ' O ' ' A' ' 116' ' ' GLY . 51.8 tp -40.26 -66.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -93.87 48.95 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.95 129.02 40.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.47 41.31 48.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.7 m -123.65 104.34 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -86.63 117.4 25.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.5 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.3 mt -115.25 157.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.596 ' CE2' HD23 ' A' ' 74' ' ' LEU . 72.6 t80 -115.12 129.0 56.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.524 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 95.2 mt -93.03 119.18 32.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.8 t -132.02 120.67 22.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.93 36.46 7.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.588 ' CE2' HD12 ' A' ' 59' ' ' LEU . 20.9 m-85 -138.46 127.75 24.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 p -144.02 -48.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.37 -136.81 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -35.88 81.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.547 ' HB3' ' CD1' ' A' ' 51' ' ' PHE . 2.6 mttt -44.56 -50.44 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 48' ' ' LEU . 3.5 tp -63.91 -68.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.7 t70 -40.2 -42.14 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' ARG . 67.3 mmtt -59.55 -70.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.588 HD12 ' CE2' ' A' ' 51' ' ' PHE . 21.1 mt -44.91 -47.92 11.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HA ' ' CD ' ' A' ' 70' ' ' ARG . 47.0 mtp180 -46.31 -28.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' LYS . 77.9 mtt180 -89.2 -30.4 18.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.532 HD23 ' CD2' ' A' ' 113' ' ' PHE . 1.0 OUTLIER -76.04 -68.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 5.3 mt -42.93 -36.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -78.06 -45.81 22.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 14.0 t -57.19 -38.56 73.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -79.89 -2.49 88.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.93 -10.74 59.47 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.64 164.7 34.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 t -116.96 117.79 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -89.48 127.0 35.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE2' ' HB2' ' A' ' 77' ' ' ASP . 1.9 m-85 -97.73 125.38 42.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -75.18 -20.91 59.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -125.45 141.68 51.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.596 HD23 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -71.4 128.32 35.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -153.23 179.45 8.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' CD ' ' CB ' ' A' ' 97' ' ' SER . 23.4 mt-10 -81.01 7.55 10.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 14.4 m-20 -89.36 -45.6 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -62.45 140.04 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 77.3 p -106.34 -18.21 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.511 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.3 m80 -140.56 146.43 38.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.438 ' CG2' HD11 ' A' ' 90' ' ' LEU . 25.1 t -120.35 116.62 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.5 HG12 ' CG2' ' A' ' 46' ' ' ILE . 2.5 mm -95.69 105.39 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 87' ' ' ASP . 23.3 t -83.76 133.41 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.75 -24.82 6.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.557 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 7.9 t0 -144.01 -48.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 12.0 p90 -164.16 140.29 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 4.7 p-10 -93.36 80.31 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 91' ' ' LYS . 6.1 m-20 -93.27 -53.29 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -38.35 -46.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.555 HD21 ' CZ2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -47.11 -50.74 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' ASP . 80.6 mttt -41.4 -37.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -44.6 60.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LEU . 42.6 t80 -67.36 -17.4 64.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.555 ' CZ2' HD21 ' A' ' 90' ' ' LEU . 5.2 m0 -83.2 -21.85 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.53 5.73 50.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -113.47 -87.74 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' ' CD ' ' A' ' 76' ' ' GLU . 58.0 m -95.36 158.65 15.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.29 98.36 10.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -162.08 139.21 8.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 95.09 47.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.1 27.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -82.76 102.18 11.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.554 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.455 ' CG1' ' CG2' ' A' ' 83' ' ' VAL . 35.8 t -87.02 107.92 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 121' ' ' GLU . 35.4 m -137.87 178.65 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.67 145.37 16.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.478 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -42.22 -33.48 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' N ' HD22 ' A' ' 23' ' ' LEU . 10.5 tttt -43.37 -46.47 6.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.531 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 30.2 t90 -53.65 -64.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.029 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 41' ' ' LEU . 17.4 tp -45.54 -55.15 6.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -42.64 -60.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.3 mm-40 -53.18 -44.49 67.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 63.6 m -51.61 -54.94 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.547 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 28.1 m-85 -67.86 -6.03 19.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.509 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.86 -41.95 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -87.04 -25.8 24.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.444 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . 98.11 -9.06 63.26 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.652 ' CZ ' ' CD2' ' A' ' 119' ' ' LEU . 4.2 p90 -132.82 142.49 49.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 73.8 mtp -57.85 142.73 44.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.652 ' CD2' ' CZ ' ' A' ' 117' ' ' TYR . 0.3 OUTLIER -114.88 176.36 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.45 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 71.1 m -63.62 142.58 58.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.453 ' HB3' ' CG1' ' A' ' 104' ' ' VAL . 3.0 mt-10 -96.08 -11.92 25.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.5 mt-10 -65.94 -43.73 59.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -75.03 3.01 6.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.531 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 74.4 m-85 -135.27 35.55 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 15.9 mm -81.04 143.05 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -112.23 107.68 16.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 10.4 p -127.14 158.88 35.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.602 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -51.25 -63.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.3 -51.45 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.433 ' ND2' ' OG1' ' A' ' 22' ' ' THR . 1.6 m-20 -93.38 60.96 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 tp -97.21 -31.8 12.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 64.1 mt-10 -75.37 -42.79 53.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -78.37 -14.28 59.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' A' ' 34' ' ' PHE . 1.9 tp -57.84 160.33 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 32' ' ' SER . 34.8 t0 -120.29 89.98 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 5.4 p -53.65 -22.7 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.421 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -90.34 20.51 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.06 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -106.93 -43.33 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 113' ' ' PHE . 93.4 m-85 -49.64 128.36 17.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -87.88 -5.92 58.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.457 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -43.62 165.38 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.33 41.79 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -69.24 -7.43 36.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -117.75 19.49 13.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.576 HD23 ' CD1' ' A' ' 113' ' ' PHE . 30.0 tp -39.91 -64.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD11 ' CZ ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -98.68 48.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.77 129.02 35.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.9 40.64 27.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.2 m -119.49 105.5 11.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.7 mtm-85 -86.67 117.95 25.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.6 mt -118.35 150.99 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.676 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 79.0 t80 -112.48 132.9 54.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.544 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 97.5 mt -96.64 114.76 26.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 3.0 t -121.42 116.69 25.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.409 ' CA ' ' OD2' ' A' ' 85' ' ' ASP . . . 91.62 45.05 4.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.461 ' CE1' HD11 ' A' ' 59' ' ' LEU . 76.1 m-85 -140.58 142.07 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -150.56 -72.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.24 -161.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -39.03 -37.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HG2' ' CG ' ' A' ' 27' ' ' GLU . 3.7 mttt -44.56 -50.08 9.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ASP . 4.3 tp -63.03 -70.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.7 t70 -38.69 -52.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 29.5 mmtt -42.81 -61.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.544 ' CD1' ' CD2' ' A' ' 48' ' ' LEU . 38.9 mt -56.82 -50.02 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -45.83 -25.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -93.58 -34.81 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD23 ' CD2' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -70.35 -65.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 3.6 mt -44.2 -35.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -78.79 -45.05 21.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -48.45 69.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -71.99 -10.4 72.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.67 -20.62 48.68 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -50.52 160.15 1.46 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 t -112.92 109.96 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 6.0 ttp180 -78.0 119.49 21.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.695 ' CE2' ' CB ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER -96.74 116.51 29.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.58 -27.21 67.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -127.33 136.23 51.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.676 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -74.57 144.1 44.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 2.7 p-10 176.0 -174.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.42 ' N ' HD21 ' A' ' 75' ' ' ASN . 10.0 mt-10 -65.53 72.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.695 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 1.6 m-20 -165.83 -48.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.525 HG23 ' CB ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -65.31 104.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 45' ' ' ARG . 71.3 p -74.58 -14.42 60.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 6.8 m80 -145.5 140.55 27.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.575 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.481 ' CG1' ' CD2' ' A' ' 90' ' ' LEU . 79.6 t -112.49 127.27 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.47 HG12 ' CG2' ' A' ' 46' ' ' ILE . 4.7 mm -107.88 103.01 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.516 HG11 ' CD2' ' A' ' 126' ' ' HIS . 68.9 t -93.41 119.54 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.91 -34.28 6.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.409 ' OD2' ' CA ' ' A' ' 50' ' ' GLY . 5.7 m-20 -125.65 -56.36 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -146.92 170.97 15.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 4.6 p30 -120.35 49.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.56 -64.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -41.39 -51.36 3.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.481 ' CD2' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -38.97 -47.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -55.79 -53.37 57.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -54.77 -49.88 69.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 75' ' ' ASN . 35.2 t80 -56.11 -36.94 68.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -70.29 -12.97 61.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -106.38 7.56 31.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -116.75 -73.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -107.09 158.21 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.1 98.44 10.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -159.14 151.11 20.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.61 89.41 52.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -172.82 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -104.72 104.06 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.487 ' CG1' HG22 ' A' ' 83' ' ' VAL . 46.0 t -84.93 99.56 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 121' ' ' GLU . 34.1 m -132.25 178.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.68 148.1 17.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.602 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -42.1 -36.88 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -40.22 -48.49 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 44.8 t90 -55.2 -62.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.01 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.444 ' CD1' HG13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -39.67 -52.28 2.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.05 -62.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 119' ' ' LEU . 2.1 mm-40 -47.53 -40.62 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 32.9 m -52.52 -49.57 64.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.576 ' CD1' HD23 ' A' ' 40' ' ' LEU . 56.9 m-85 -72.71 -47.93 43.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -55.28 -38.63 68.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.041 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 5.2 mmtt -80.31 -24.98 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.52 -10.85 73.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.578 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 9.2 p90 -140.88 160.46 40.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 0.765 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 82.5 mtp -68.56 132.49 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.578 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 1.6 mt -106.83 177.44 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.44 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 66.2 m -67.87 145.34 54.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.567 ' OE2' ' CZ2' ' A' ' 108' ' ' TRP . 2.0 mp0 -95.89 -24.14 16.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.614 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.7 mt-10 -54.41 -44.84 99.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.98 2.31 6.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.419 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 69.1 m-85 -136.35 37.52 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 22.3 mm -82.32 151.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.516 ' CD2' HG11 ' A' ' 83' ' ' VAL . 25.2 t60 -111.87 106.67 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.591 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.966 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.452 ' HB3' ' CD1' ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' ASN . 77.9 p -120.74 151.91 38.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 107' ' ' LYS . 0.1 OUTLIER -48.17 -53.09 18.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.8 -19.56 4.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 3.0 m-20 -125.22 52.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -81.08 -33.99 32.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' CB ' ' HD2' ' A' ' 54' ' ' ARG . 16.3 mt-10 -75.52 -32.74 60.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -107.14 32.6 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -105.79 149.24 26.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 15.8 t0 -111.29 89.47 3.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 1.9 p -53.1 -33.55 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -6.62 30.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -76.33 -47.17 24.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 113' ' ' PHE . 66.6 m-85 -46.79 123.96 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -86.14 0.47 53.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' A' ' 113' ' ' PHE . . . -42.26 162.91 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.71 32.78 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.94 7.58 15.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.45 22.6 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 116' ' ' GLY . 52.4 tp -44.06 -62.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.436 HD12 ' CZ ' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -101.72 44.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.8 129.68 14.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.79 42.81 29.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.58 1.175 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 41' ' ' LEU . 61.9 m -116.13 107.28 14.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 4.3 mtt-85 -88.32 108.78 19.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.2 mt -112.47 157.84 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' ' 74' ' ' LEU . 4.8 t80 -119.62 123.83 44.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.471 HD23 ' CG ' ' A' ' 59' ' ' LEU . 96.1 mt -92.58 133.67 35.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.8 131.75 9.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.41 -5.29 38.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.75 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 20.5 m-85 -108.58 -176.71 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 51' ' ' PHE . 2.8 p 155.45 115.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.36 -93.4 0.83 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HD2' ' CB ' ' A' ' 27' ' ' GLU . 4.2 mtm180 -98.12 -66.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.22 -40.96 3.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.621 ' HB2' ' CB ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -69.15 -70.99 0.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.536 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 1.2 m-20 -38.9 -47.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.473 ' CB ' HD22 ' A' ' 26' ' ' LEU . 9.5 mmtt -40.85 -63.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.75 ' CD2' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -51.67 -55.21 20.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.448 ' CG ' ' HD3' ' A' ' 70' ' ' ARG . 7.3 mtp180 -39.32 -39.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -77.45 -42.72 34.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.574 ' O ' ' CZ ' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -59.19 -65.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' LEU . 9.3 mt -38.93 -56.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -58.6 -42.95 89.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' LEU . 8.2 t -60.19 -15.39 23.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.09 1.88 28.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.18 -14.09 51.51 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.84 158.15 5.19 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.44 116.26 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HD3' ' CG ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -80.47 108.21 13.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -84.73 120.16 26.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -74.39 -9.62 58.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 2.5 mt-30 -134.91 174.3 10.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -116.46 162.95 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 5.5 p30 155.78 -175.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.86 91.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 169.06 -33.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 81' ' ' VAL . 55.3 t -57.35 114.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.539 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 43.8 p -83.7 -20.36 33.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.42 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 79' ' ' THR . 8.0 m80 -159.91 163.46 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.582 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.479 HG23 ' CG1' ' A' ' 78' ' ' VAL . 39.8 t -139.51 100.7 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.471 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 1.4 mm -76.19 103.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.439 HG11 ' CD2' ' A' ' 126' ' ' HIS . 76.6 t -95.85 135.59 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.531 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -102.76 -13.51 29.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -160.47 -44.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 6.3 p90 -172.48 174.75 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -152.02 99.72 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.1 m-20 -72.27 -49.06 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.3 tm-20 -37.66 -50.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -37.76 -60.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -42.81 -54.09 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -57.53 -49.34 76.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 97' ' ' SER . 22.2 t80 -60.55 -24.78 65.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 11.7 m0 -87.93 -10.64 49.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -105.67 12.37 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -137.46 -60.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.573 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 69.3 m -99.42 157.59 16.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -108.41 99.9 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -168.34 153.96 6.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.581 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -125.46 91.18 49.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 159.74 41.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.069 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -82.14 102.21 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.1 t -90.25 95.25 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.449 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 27.3 m -121.4 178.35 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.19 148.86 17.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.449 ' HB2' ' CD2' ' A' ' 59' ' ' LEU . . . -42.74 -36.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.442 ' N ' HD23 ' A' ' 23' ' ' LEU . 7.7 tttt -39.01 -47.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.516 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 45.0 t90 -58.81 -61.84 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.023 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -41.79 -54.51 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.7 mt -48.69 -65.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.2 mm-40 -43.49 -48.5 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.504 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 71.1 m -50.9 -58.14 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 108.284 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CZ ' ' O ' ' A' ' 62' ' ' LEU . 34.7 m-85 -65.93 -7.48 16.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.489 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -89.29 -41.17 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -89.44 -25.88 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . 97.88 -11.95 64.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.66 ' CZ ' ' CD2' ' A' ' 119' ' ' LEU . 6.0 p90 -128.77 144.72 51.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.2 mtp -60.27 140.34 57.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.66 ' CD2' ' CZ ' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -113.31 172.15 7.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.476 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 18.5 m -56.99 141.55 45.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.512 ' OE1' ' CG ' ' A' ' 108' ' ' TRP . 5.2 mm-40 -95.81 -10.58 28.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 30.3 mt-10 -67.85 -42.89 35.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.1 Cg_endo -75.07 3.63 5.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.536 1.809 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.516 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 96.2 m-85 -139.21 40.95 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 29.2 mm -86.33 148.92 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.439 ' CD2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -110.54 106.73 16.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.573 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 p -111.06 153.42 25.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -52.77 33.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.93 -17.93 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -124.57 52.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -82.66 -42.23 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.88 -37.86 82.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -95.95 43.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 30' ' ' ASP . 16.0 tp -105.95 160.86 14.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.449 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 40.1 t0 -126.92 80.71 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.515 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 11.2 p -54.73 -22.57 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.03 2.31 24.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.34 -42.9 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 39.9 m-85 -49.83 128.41 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 13.9 tt0 -96.09 -2.6 46.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 35' ' ' GLN . . . -43.79 167.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.74 32.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.94 3.63 33.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.07 18.58 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 tp -41.03 -61.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.25 42.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 2.1 t0 -51.59 131.55 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 46.29 42.92 13.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 42' ' ' ASP . 75.2 m -120.37 106.87 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 3.1 mtt-85 -88.88 110.08 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -114.28 147.82 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.517 ' CE2' ' HB2' ' A' ' 74' ' ' LEU . 5.0 t80 -106.52 117.27 33.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 63' ' ' ILE . 42.2 mt -83.42 115.57 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.499 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 1.8 p -120.8 165.23 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 38.18 54.69 2.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.518 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 9.2 m-85 -144.66 129.67 18.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -157.77 148.09 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.87 -132.83 11.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -67.41 -48.71 66.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' CB ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -41.68 -54.07 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASP . 21.0 tp -67.28 -56.73 8.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -39.69 -38.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ARG . 16.2 mmtt -66.07 -72.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.518 ' CD2' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -39.04 -38.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 16.4 mtp-105 -59.09 -51.74 68.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 65' ' ' SER . 59.3 mtt180 -68.08 -28.09 67.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 113' ' ' PHE . 2.5 mp -71.74 -71.28 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.448 ' CD1' HD12 ' A' ' 48' ' ' LEU . 21.3 mt -37.79 -55.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -45.1 92.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 11.7 t -60.51 -29.53 69.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -91.35 -7.58 65.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.563 1.164 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.73 63.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.36 160.48 3.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.9 t -110.41 113.58 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.16 102.47 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -75.71 125.12 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -77.21 -14.48 59.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.4 170.98 13.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -109.73 164.18 12.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER 165.81 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -67.84 -16.47 64.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -45.47 67.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.1 t -43.83 142.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.533 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.9 p -113.84 -17.56 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 79' ' ' THR . 11.0 m80 -159.44 157.44 30.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 90' ' ' LEU . 76.6 t -135.68 96.97 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.432 ' CG2' ' HA ' ' A' ' 106' ' ' ALA . 1.4 mm -74.99 110.0 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.531 HG23 ' CG1' ' A' ' 103' ' ' VAL . 46.5 t -99.5 139.83 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -115.67 -21.25 5.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.521 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 20.0 m-20 -125.54 -53.55 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.521 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 13.4 p90 179.83 -45.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 86' ' ' TYR . 17.6 t0 81.91 108.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -94.29 -34.19 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.5 tp10 -57.91 -45.85 85.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 81' ' ' VAL . 1.2 tt -40.5 -50.59 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -48.13 -46.63 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.4 mm-40 -57.96 -50.34 73.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.458 ' CD2' HD21 ' A' ' 74' ' ' LEU . 9.0 t80 -55.07 -37.81 67.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -63.59 -22.47 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.57 11.83 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -115.2 -86.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.7 m -91.34 157.71 16.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.05 98.96 10.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -163.08 157.35 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.19 90.66 49.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.61 40.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -81.34 102.31 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.531 ' CG1' HG23 ' A' ' 83' ' ' VAL . 46.3 t -91.78 99.11 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.464 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 27.1 m -129.68 175.26 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.91 149.07 19.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 107' ' ' LYS . . . -42.13 -36.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' ALA . 4.4 tttt -37.41 -50.42 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.62 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 53.3 t90 -56.54 -64.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 112' ' ' CYS . 0.5 OUTLIER -40.01 -48.94 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 66.9 mt -52.68 -62.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.9 mm-40 -48.67 -48.39 39.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.62 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 80.2 m -40.67 -57.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 108.263 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.577 ' CD2' HD23 ' A' ' 62' ' ' LEU . 53.8 m-85 -65.53 -58.76 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.56 -41.43 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.54 ' HG3' HD21 ' A' ' 119' ' ' LEU . 4.7 mmmt -79.04 -24.53 43.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 113' ' ' PHE . . . 90.13 -16.02 58.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.578 ' CE1' ' HG ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -132.81 162.94 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.789 . . . . 0.0 110.949 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 75.9 mtp -76.78 145.58 38.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.655 ' CD1' ' N ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -116.51 -179.79 3.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.5 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.9 m -68.3 144.62 54.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.46 ' O ' HG12 ' A' ' 125' ' ' ILE . 2.2 mt-10 -94.7 -9.05 36.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.622 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 13.3 mt-10 -72.82 -44.45 8.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.93 0.29 9.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.551 1.816 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.486 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 61.1 m-85 -133.42 34.44 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 13.9 mm -75.98 153.29 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.523 ' CD2' ' HB ' ' A' ' 83' ' ' VAL . 2.3 t-80 -111.51 106.26 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HB2' ' CB ' ' A' ' 110' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.2 p -114.63 163.15 15.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 HD22 ' CB ' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -60.07 -59.86 4.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -47.23 -22.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 23' ' ' LEU . 4.7 m-20 -119.67 59.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.431 ' HB2' ' CE ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -92.22 -37.22 12.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -68.78 -36.68 78.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.48 -44.02 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.5 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -44.96 145.03 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -110.31 127.92 55.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 4.3 p -80.62 -32.32 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.12 4.77 18.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.97 -45.91 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CE2' HD21 ' A' ' 62' ' ' LEU . 84.9 m-85 -47.23 135.79 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.172 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -97.32 6.14 48.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 113' ' ' PHE . . . -55.17 169.64 0.43 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.34 42.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -8.4 53.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -118.81 20.49 12.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 113' ' ' PHE . 48.5 tp -39.04 -65.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -92.53 54.39 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.25 124.16 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.31 37.9 75.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.09 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.8 m -124.75 104.63 8.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.453 ' HB3' ' HA ' ' A' ' 78' ' ' VAL . 6.7 mtm-85 -84.46 123.0 29.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mt -122.0 144.93 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD2' HD21 ' A' ' 74' ' ' LEU . 56.9 t80 -109.59 118.96 37.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD23 ' CG ' ' A' ' 59' ' ' LEU . 57.0 mt -84.17 132.5 34.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.96 153.95 48.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.58 55.11 9.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.525 ' CE1' ' HA3' ' A' ' 84' ' ' GLY . 13.1 m-85 -142.96 131.84 22.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.86 165.18 36.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.88 -122.66 13.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -81.19 -47.07 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.431 ' CE ' ' HB2' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -40.79 -50.54 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' ASP . 5.9 tp -66.77 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -39.43 -47.72 1.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 50.2 mmtt -53.49 -66.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CG ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -44.42 -57.86 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' LEU . 4.4 mtt180 -38.99 -52.31 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -65.73 -42.11 91.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.582 HD21 ' CE2' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -57.36 -70.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' LEU . 11.4 mt -38.11 -55.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -57.65 -45.71 85.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' LEU . 39.8 t -57.18 -29.34 63.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.56 -15.12 60.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.91 -15.25 62.91 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.53 164.58 8.54 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.3 t -110.25 116.85 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 70' ' ' ARG . 4.7 ttp-105 -84.14 109.61 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CZ ' ' HB2' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -86.11 108.94 18.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.73 -20.45 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -123.94 151.97 43.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.9 125.35 31.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.577 ' C ' ' CE1' ' A' ' 93' ' ' PHE . 6.0 m120 -148.8 -174.07 4.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' CG ' ' CB ' ' A' ' 97' ' ' SER . 13.3 mt-10 -85.15 12.34 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.635 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -94.36 -50.08 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 80' ' ' HIS . 1.1 p -55.68 136.12 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.472 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 82.6 p -105.4 -15.58 14.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.6 m80 -141.25 147.15 37.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.639 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' CG1' HD12 ' A' ' 90' ' ' LEU . 74.1 t -127.49 105.91 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 104' ' ' VAL . 1.1 mm -82.72 112.78 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 87' ' ' ASP . 39.0 t -96.75 126.07 49.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.525 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -97.68 -36.19 4.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -133.04 -48.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -164.91 149.52 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.416 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 20.0 p-10 -106.6 91.92 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' LYS . 18.0 m-20 -92.02 -56.72 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.509 ' CB ' ' OH ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -38.81 -54.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.558 HD21 ' CZ2' ' A' ' 94' ' ' TRP . 0.2 OUTLIER -38.46 -43.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.517 ' CG ' ' N ' ' A' ' 92' ' ' GLN . 3.2 pttt -51.7 -53.05 43.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.517 ' N ' ' CG ' ' A' ' 91' ' ' LYS . 8.5 mt-30 -57.68 -41.72 82.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.577 ' CE1' ' C ' ' A' ' 75' ' ' ASN . 57.8 t80 -68.34 -27.24 66.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.558 ' CZ2' HD21 ' A' ' 90' ' ' LEU . 3.4 m0 -72.0 -24.46 61.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 107.958 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.34 1.96 54.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -107.08 -80.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.44 ' CB ' ' CG ' ' A' ' 76' ' ' GLU . 58.8 m -102.18 158.12 16.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.61 98.37 10.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -159.46 145.4 16.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.578 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.34 89.81 47.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 161.26 38.89 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -75.47 108.53 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.459 ' CG2' HD13 ' A' ' 90' ' ' LEU . 92.1 t -93.68 96.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 121' ' ' GLU . 16.3 m -128.78 178.58 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 107' ' ' LYS . . . -103.18 153.88 18.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.446 1.091 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 110' ' ' LEU . . . -47.41 -22.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.636 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 14.9 tttt -60.54 -14.28 18.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.587 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 8.2 t90 -99.84 -3.74 31.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 107.998 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' A' ' 113' ' ' PHE . 9.4 tp -92.17 -47.49 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.636 ' CD2' ' HA ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -58.85 -56.24 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.5 mm-40 -47.68 -38.86 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 108' ' ' TRP . 67.0 m -62.16 -55.71 26.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 108.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.569 ' CD1' HD22 ' A' ' 40' ' ' LEU . 29.4 m-85 -70.12 -6.92 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.9 t -97.33 -45.77 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 1.2 mmtt -74.08 -23.07 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.99 -13.07 63.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.412 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 2.8 p90 -141.62 165.98 25.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.2 mtp -69.01 147.6 51.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.488 HD11 ' CB ' ' A' ' 111' ' ' GLU . 1.7 mt -117.91 177.6 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.485 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.8 m -66.93 143.41 56.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -95.75 -9.19 32.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.621 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 45.3 mt-10 -71.97 -43.01 10.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.04 3.19 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.587 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 74.7 m-85 -138.82 39.44 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 21.5 mm -83.16 148.59 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -114.56 106.82 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.2 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -115.78 151.21 35.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.48 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -45.84 -65.73 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 11.4 mt-10 -37.61 -66.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -80.9 62.25 4.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 13.4 tp -97.83 -26.27 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -75.34 -50.73 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -68.67 -22.88 64.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 1.9 tp -55.22 138.41 45.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -106.27 101.4 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 10.7 p -56.62 -24.1 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.37 4.68 14.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.96 -42.93 9.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.469 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 53.5 m-85 -49.25 130.86 19.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 8.2 tt0 -94.9 -5.13 45.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' CB ' ' HA ' ' A' ' 113' ' ' PHE . . . -43.46 166.5 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 162.5 36.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.67 4.62 21.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -131.35 16.91 4.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' ASP . 54.9 tp -39.54 -70.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -85.73 48.76 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.45 127.15 29.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.17 39.93 58.82 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.4 m -123.45 104.32 9.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -87.32 121.51 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.5 ' CG2' HG12 ' A' ' 82' ' ' ILE . 1.4 mp -120.49 157.52 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.576 ' CG ' HD21 ' A' ' 74' ' ' LEU . 89.0 t80 -115.92 116.1 27.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD23 ' CG ' ' A' ' 59' ' ' LEU . 62.6 mt -83.27 119.03 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.468 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.9 t -133.54 130.08 37.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.25 52.86 5.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 35.2 m-85 -145.97 136.56 24.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -165.45 147.83 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.998 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.08 -117.23 4.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.25 -52.51 6.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -41.47 -55.15 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' ASP . 8.5 tp -59.24 -61.97 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -40.31 -43.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' ARG . 69.0 mmtt -58.37 -73.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.578 ' CD2' ' CZ ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -39.86 -42.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 23.3 mtt-85 -55.55 -50.45 69.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' LYS . 78.1 mtt180 -69.81 -40.58 75.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.528 HD21 ' CD2' ' A' ' 113' ' ' PHE . 1.8 mp -56.84 -66.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 70' ' ' ARG . 16.8 mt -40.1 -55.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.31 -40.89 75.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.6 t -65.99 -16.66 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -104.45 -10.36 33.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.21 -0.94 87.57 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.65 166.38 53.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 t -121.07 120.18 61.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -88.9 128.34 35.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 77' ' ' ASP . 1.4 m-85 -99.62 117.03 33.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -69.53 -19.77 63.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -123.44 143.69 49.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.89 127.62 33.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.547 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -156.18 -174.22 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -83.0 9.27 10.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 1.1 m-20 -89.89 -48.21 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.62 ' CG2' ' O ' ' A' ' 80' ' ' HIS . 1.8 p -63.74 148.06 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.469 ' OG1' ' ND1' ' A' ' 80' ' ' HIS . 80.6 p -110.08 -26.94 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.62 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -127.51 156.48 42.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.569 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.477 ' CG1' HD13 ' A' ' 90' ' ' LEU . 67.2 t -136.96 97.54 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.5 HG12 ' CG2' ' A' ' 46' ' ' ILE . 1.6 mm -77.41 102.38 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG22 ' CG1' ' A' ' 103' ' ' VAL . 92.6 t -88.09 106.9 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -98.72 -12.42 43.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 86' ' ' TYR . 1.1 m-20 -173.63 78.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 85' ' ' ASP . 43.8 m-85 59.28 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.466 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 13.0 p-10 -116.0 42.65 2.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ASP . 4.6 m-20 -39.78 -30.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' GLN . 0.1 OUTLIER -60.19 -55.2 36.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.593 ' CD2' ' CE2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -39.97 -53.74 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.02 -41.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.6 mm100 -64.08 -47.68 79.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 17.7 t80 -61.53 -19.64 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.593 ' CE2' ' CD2' ' A' ' 90' ' ' LEU . 12.2 m0 -81.56 -22.81 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 107.995 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -101.52 5.9 42.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -108.62 -76.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.6 m -109.26 158.07 18.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.52 97.34 11.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -168.71 141.64 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.589 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.69 98.28 49.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.26 37.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.497 ' CD2' ' OE2' ' A' ' 121' ' ' GLU . 24.0 m-70 -74.9 108.43 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.638 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.471 ' CG1' HG22 ' A' ' 83' ' ' VAL . 26.8 t -94.78 110.07 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 33.6 m -139.31 178.17 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.42 149.65 17.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.48 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -42.41 -35.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 106' ' ' ALA . 3.1 tttt -39.19 -50.23 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.616 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 41.8 t90 -58.27 -61.81 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 112' ' ' CYS . 0.3 OUTLIER -40.3 -44.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.36 -63.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.43 -48.25 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.616 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 96.6 m -41.39 -57.85 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.528 ' CD2' HD21 ' A' ' 62' ' ' LEU . 61.8 m-85 -64.91 -59.28 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 t -46.77 -48.72 20.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.513 ' HE2' ' CD2' ' A' ' 119' ' ' LEU . 1.3 mmmt -72.06 -26.66 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.83 -2.25 87.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.631 ' CE1' ' HG ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -142.79 155.87 44.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 111.004 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.9 mtp -71.66 141.37 49.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.638 ' CD1' ' N ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -114.24 179.75 3.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.5 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 59.5 m -68.93 145.03 54.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.522 ' OE2' ' CD2' ' A' ' 80' ' ' HIS . 34.6 mt-10 -95.02 -9.4 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.62 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 29.2 mt-10 -73.4 -44.55 7.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.94 1.15 8.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 57.1 m-85 -134.11 36.22 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 20.5 mm -80.02 146.48 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.442 ' CD2' HG13 ' A' ' 83' ' ' VAL . 16.8 t60 -107.14 110.46 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.554 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.3 p -108.8 165.27 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' CB ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -59.33 -60.55 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -44.28 -26.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 23' ' ' LEU . 26.6 m-20 -121.28 59.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -85.91 -43.14 13.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -71.08 -13.13 61.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -110.98 -7.79 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -69.03 131.5 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 32.2 t0 -97.31 89.26 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.485 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 p -52.74 -34.57 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -8.7 31.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -77.16 -45.48 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 45.7 m-85 -48.96 123.87 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -88.93 2.37 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.74 166.51 0.15 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.12 43.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.62 -3.59 32.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -124.85 20.15 8.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' ASP . 47.6 tp -40.02 -59.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -98.85 53.45 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.42 126.58 27.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.99 38.87 39.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.9 m -122.24 109.11 14.07 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' CB ' ' HA ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -86.56 126.35 34.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.4 mt -125.79 143.46 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.583 ' CD2' HD21 ' A' ' 74' ' ' LEU . 55.5 t80 -110.35 118.81 37.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 47.1 mt -83.14 132.82 35.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.26 136.85 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 108.29 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.92 56.05 16.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 19.1 m-85 -148.24 133.75 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.14 165.71 35.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.29 -120.73 13.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -48.03 10.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.465 ' CB ' HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -40.04 -46.14 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 57' ' ' ASP . 15.1 tp -72.04 -59.4 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' LEU . 11.7 t70 -39.3 -45.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 29' ' ' LEU . 72.6 mmtt -56.28 -70.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.512 ' CD2' ' CZ ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -41.16 -47.61 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -52.3 -44.1 64.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' LYS . 80.2 mtt180 -73.28 -30.49 63.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.572 HD22 ' CD2' ' A' ' 113' ' ' PHE . 2.7 mp -68.77 -68.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 8.7 mt -39.41 -54.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.19 -45.3 91.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' LEU . 30.5 t -58.75 -27.85 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' ASP . . . -88.33 -18.67 54.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.51 -1.58 62.14 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.13 167.65 54.87 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -107.56 135.78 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.8 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 46' ' ' ILE . 7.7 ttp-105 -103.0 107.86 18.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CZ ' ' CB ' ' A' ' 77' ' ' ASP . 2.0 m-85 -86.53 104.23 15.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.43 -15.31 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -129.49 141.87 50.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.583 HD21 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -71.9 126.48 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -147.81 -175.64 4.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -87.31 16.84 4.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.621 ' CB ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -100.88 -48.43 4.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.471 HG23 ' CB ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -54.35 139.06 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.488 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 21.5 p -118.6 5.4 11.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.815 ' CD2' ' CD2' ' A' ' 102' ' ' HIS . 45.3 m80 -155.27 138.69 15.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.564 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 102' ' ' HIS . 40.3 t -126.16 109.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 106' ' ' ALA . 1.2 mm -92.08 104.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.464 ' CG2' HG11 ' A' ' 103' ' ' VAL . 33.3 t -86.22 115.41 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.26 -41.6 4.22 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -124.68 -44.86 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -173.63 173.43 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 29.7 p-10 -138.52 92.42 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -94.38 -32.17 13.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' GLN . 3.3 tp10 -67.67 -47.24 70.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.604 ' CD2' ' CE2' ' A' ' 94' ' ' TRP . 0.9 OUTLIER -44.91 -49.95 10.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' HA ' ' CE3' ' A' ' 94' ' ' TRP . 33.0 mttt -51.33 -37.76 49.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -66.49 -44.12 83.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 97' ' ' SER . 50.9 t80 -65.46 -16.15 63.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.604 ' CE2' ' CD2' ' A' ' 90' ' ' LEU . 16.8 m0 -79.61 -12.04 59.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 107.988 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -116.97 11.1 14.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -110.91 -77.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.431 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 45.9 m -106.83 158.94 16.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.2 96.67 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -175.44 130.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -118.88 94.19 47.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 156.3 42.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.815 ' CD2' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -61.95 156.08 21.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' A' ' 83' ' ' VAL . 18.2 t -135.27 95.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.577 HG22 ' CE1' ' A' ' 102' ' ' HIS . 3.1 m -126.35 178.24 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.38 165.71 23.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.158 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.465 ' HA ' ' CG2' ' A' ' 82' ' ' ILE . . . -58.02 -36.0 72.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 106' ' ' ALA . 15.6 tttt -38.8 -48.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 62.5 t90 -53.97 -63.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' TRP . 0.5 OUTLIER -40.28 -46.58 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.89 -59.29 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.1 mm-40 -50.97 -33.74 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.233 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.567 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 34.5 m -64.08 -57.66 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.246 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.572 ' CD2' HD22 ' A' ' 62' ' ' LEU . 47.8 m-85 -69.47 -12.47 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.5 t -90.78 -43.42 10.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.5 mmtt -79.57 -18.21 52.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.53 -15.99 60.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.687 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 3.7 p90 -136.9 155.37 49.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.502 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 66.4 mtp -65.0 139.84 58.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.687 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -113.76 177.17 4.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.415 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 49.5 m -62.66 141.69 58.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.594 ' OE2' ' CZ2' ' A' ' 108' ' ' TRP . 1.2 mp0 -96.32 -23.83 16.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.586 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 17.8 mt-10 -55.27 -46.37 99.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.98 6.92 3.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.441 ' CD1' ' HB2' ' A' ' 108' ' ' TRP . 45.3 m-85 -133.14 16.11 4.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.518 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 8.4 mm -62.79 144.75 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -109.72 108.99 19.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.569 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.945 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -113.61 161.4 17.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.56 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -54.71 -72.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 1.3 mp0 -38.1 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' LEU . 61.4 m-20 -110.47 60.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -97.94 -29.74 13.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -69.39 -51.11 39.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -90.86 37.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.458 ' CD2' HD23 ' A' ' 26' ' ' LEU . 20.3 tp -98.96 154.3 18.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 20.4 t0 -119.03 94.49 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.491 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -65.6 -12.44 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.53 9.82 38.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -96.98 -44.27 7.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 113' ' ' PHE . 74.5 m-85 -48.19 120.47 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ALA . 34.6 mt-30 -85.28 -4.11 59.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.464 ' CB ' ' HA2' ' A' ' 116' ' ' GLY . . . -44.96 168.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.59 40.75 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.81 -7.43 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -120.16 19.32 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.599 ' CD2' ' CD1' ' A' ' 113' ' ' PHE . 55.4 tp -38.64 -54.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -104.48 57.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -63.63 127.57 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.65 41.91 43.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 42' ' ' ASP . 58.4 m -120.35 109.37 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.568 ' HG2' ' CE1' ' A' ' 71' ' ' PHE . 4.0 mtm-85 -94.43 114.66 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.471 ' CG2' HG12 ' A' ' 82' ' ' ILE . 1.8 mt -114.41 152.51 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.699 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 59.2 t80 -110.19 125.53 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.524 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 87.2 mt -90.67 118.79 30.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.6 t -129.93 138.36 50.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 108.289 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.42 61.6 5.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -151.8 118.17 5.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 0.759 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.98 123.03 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.36 -116.43 3.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -90.28 -52.26 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -40.4 -39.51 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 14.2 tp -71.1 -69.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -38.84 -42.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 10.9 mmtt -53.52 -64.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.524 ' CD1' ' CD2' ' A' ' 48' ' ' LEU . 68.1 mt -46.95 -51.03 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -46.69 -28.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -96.0 -36.38 11.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.491 ' HG ' ' CG2' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -66.96 -60.62 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 3.6 mt -48.7 -43.86 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -41.01 90.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.82 -51.99 52.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -72.39 -2.61 55.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.29 -17.75 49.79 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.49 175.26 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -132.64 121.38 44.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -89.14 131.08 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CE2' ' CB ' ' A' ' 77' ' ' ASP . 2.3 m-85 -103.2 116.93 33.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -58.09 -32.58 68.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -122.96 135.22 54.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -74.46 146.04 43.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 77' ' ' ASP . 7.3 p-10 176.93 -178.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 6.5 mt-10 -64.26 74.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.62 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 4.0 m-20 -168.31 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -73.5 117.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 45' ' ' ARG . 77.8 p -84.12 -18.13 37.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.522 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 3.5 m80 -143.06 147.52 35.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.573 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.8 t -121.17 117.36 52.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' A' ' 46' ' ' ILE . 4.1 mm -97.75 101.57 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.402 ' HB ' ' CD2' ' A' ' 126' ' ' HIS . 95.6 t -92.79 131.97 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.88 -61.26 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.65 -38.2 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 8.4 p90 -171.52 165.44 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 5.5 p-10 -137.02 97.56 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -85.93 -33.86 21.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -62.08 -39.94 94.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD23 ' CG2' ' A' ' 103' ' ' VAL . 0.1 OUTLIER -47.99 -61.02 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -42.87 -42.74 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -64.05 -47.66 79.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.537 ' CD2' HD23 ' A' ' 74' ' ' LEU . 29.1 t80 -59.57 -19.89 51.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -81.94 -19.45 40.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.979 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -106.78 9.07 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -82.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 76' ' ' GLU . 47.1 m -105.0 158.29 16.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.31 97.22 10.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -167.34 130.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.01 94.12 37.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -179.97 5.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -92.53 113.81 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.573 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.445 ' CG2' HD23 ' A' ' 90' ' ' LEU . 39.6 t -92.97 98.88 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.501 ' CG1' ' CB ' ' A' ' 121' ' ' GLU . 21.4 m -130.52 177.15 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.62 150.84 18.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.56 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -44.39 -38.11 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 106' ' ' ALA . 10.1 tttt -38.6 -48.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.555 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 23.8 t90 -55.27 -58.61 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 107.994 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -44.95 -45.9 10.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.1 mt -55.58 -64.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.0 mm-40 -46.65 -42.5 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.495 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 59.6 m -50.7 -45.74 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.599 ' CD1' ' CD2' ' A' ' 40' ' ' LEU . 43.0 m-85 -78.64 -48.2 15.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.3 t -54.33 -36.33 63.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.7 mmtt -83.45 -26.0 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.464 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 93.41 -13.45 67.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.727 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 4.0 p90 -137.47 139.72 40.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.8 mtp -53.11 140.03 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.727 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 0.5 OUTLIER -116.14 177.46 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -69.57 147.91 50.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.501 ' CB ' ' CG1' ' A' ' 104' ' ' VAL . 0.0 OUTLIER -97.56 -24.22 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.569 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 0.7 OUTLIER -48.71 -47.79 71.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -75.02 3.77 5.33 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.555 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 72.1 m-85 -134.75 24.89 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.559 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 2.8 mm -66.53 154.93 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.402 ' CD2' ' HB ' ' A' ' 83' ' ' VAL . 2.2 t-80 -113.15 111.35 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.62 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.03 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 p -108.03 153.78 22.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -49.0 -57.33 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.15 -23.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -120.91 61.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.487 HD22 ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.13 -42.23 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 5.3 mt-10 -74.47 -24.75 59.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -107.03 24.92 12.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -101.0 155.27 18.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 12.0 t0 -116.0 92.49 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.476 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 2.7 p -53.41 -33.0 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -6.01 31.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -76.94 -46.75 23.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 29' ' ' LEU . 64.5 m-85 -51.03 127.12 18.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 6.0 tt0 -91.39 -3.58 56.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 35' ' ' GLN . . . -41.68 162.84 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 159.65 41.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' CA ' ' A' ' 67' ' ' GLY . 2.2 mt-10 -75.07 -11.99 60.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.68 20.86 16.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 66' ' ' GLY . 37.1 tp -43.05 -58.79 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -106.68 39.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -44.52 122.51 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.12 40.54 97.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 56.1 m -120.7 107.4 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' THR . 11.7 mtt-85 -83.3 101.79 11.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.449 HG21 ' N ' ' A' ' 47' ' ' TYR . 3.5 mt -102.18 165.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' A' ' 74' ' ' LEU . 78.1 t80 -144.55 170.96 15.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.499 HD13 ' CD2' ' A' ' 59' ' ' LEU . 2.2 mm? -125.6 125.03 42.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 t -127.75 98.8 5.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.29 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.81 24.48 5.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.493 ' CZ ' HD23 ' A' ' 59' ' ' LEU . 57.8 m-85 -119.58 169.52 9.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.15 -74.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . -55.09 -165.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLY . 47.9 mtt180 -38.46 -38.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -42.42 -48.01 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASP . 1.4 tp -65.54 -69.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.8 t70 -39.26 -42.14 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 10.0 mmtt -50.06 -62.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.499 ' CD2' HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -55.3 -46.45 76.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -48.93 -47.71 43.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -68.87 -42.18 77.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.557 HD23 ' CD2' ' A' ' 113' ' ' PHE . 0.9 OUTLIER -59.61 -66.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' LEU . 4.6 mt -37.81 -55.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.69 -44.44 96.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 20.0 t -61.88 -14.03 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -110.42 -1.55 29.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 38' ' ' GLU . . . 87.15 -18.86 33.96 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 41' ' ' LEU . . . -51.13 155.12 3.55 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' A' ' 71' ' ' PHE . 13.5 t -92.89 111.5 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -87.22 100.16 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.483 ' O ' ' CZ ' ' A' ' 70' ' ' ARG . 1.6 m-30 -73.94 154.37 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -90.3 -30.97 17.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -136.3 146.24 46.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -70.3 164.03 25.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.569 ' HA ' ' CD1' ' A' ' 93' ' ' PHE . 5.3 p30 156.82 -175.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 17.4 mt-10 -65.9 90.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.482 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.2 m-20 169.53 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 80' ' ' HIS . 74.0 t -59.13 106.94 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 72.6 p -76.83 -16.29 59.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.51 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 18.8 m80 -152.17 142.31 22.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.46 ' CG2' HG11 ' A' ' 78' ' ' VAL . 75.3 t -119.93 101.84 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.488 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 1.6 mm -83.83 117.05 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 126' ' ' HIS . 44.4 t -103.36 141.68 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.8 -38.34 3.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -134.83 -49.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -158.03 166.27 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -123.43 85.88 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -93.12 -28.48 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.23 -42.15 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.474 ' CD2' ' CE2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -44.87 -52.68 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' LEU . 18.8 mttm -39.28 -47.43 1.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.6 -52.31 64.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.569 ' CD1' ' HA ' ' A' ' 75' ' ' ASN . 9.6 t80 -58.1 -21.97 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.474 ' CE2' ' CD2' ' A' ' 90' ' ' LEU . 10.9 m0 -82.71 -25.44 32.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 108.012 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -88.56 -0.28 57.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -108.01 -66.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.467 ' CB ' ' HG3' ' A' ' 76' ' ' GLU . 58.8 m -118.09 158.6 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.22 98.24 10.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -152.98 146.97 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.572 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.67 89.29 51.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 178.18 7.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.06 102.23 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -85.33 95.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 121' ' ' GLU . 32.8 m -125.23 175.61 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.41 149.75 18.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.03 -35.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 106' ' ' ALA . 4.3 tttt -39.34 -46.99 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.592 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 49.1 t90 -59.48 -64.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 108' ' ' TRP . 0.5 OUTLIER -38.02 -51.31 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' SER . 25.9 mt -54.25 -63.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.468 ' CB ' HD12 ' A' ' 119' ' ' LEU . 4.4 mm-40 -44.12 -40.08 4.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 68.8 m -60.59 -57.28 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.557 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -68.92 -11.56 60.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' LEU . 31.1 t -88.56 -46.02 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 2.3 mmtt -76.59 -21.79 55.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 98.54 -15.22 61.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.598 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 13.1 p90 -134.25 164.83 26.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.4 mtp -73.92 135.24 43.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.598 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -109.6 176.79 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.444 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 8.1 m -67.44 145.81 54.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.592 ' OE2' ' CZ2' ' A' ' 108' ' ' TRP . 1.7 mp0 -95.02 -10.24 31.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.644 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 32.0 mt-10 -63.75 -43.11 75.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.05 2.11 7.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.496 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 96.8 m-85 -138.93 43.22 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 30.7 mm -87.08 149.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.571 ' CD2' HG12 ' A' ' 83' ' ' VAL . 1.8 t-80 -114.02 106.3 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 m -125.82 146.71 49.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -176.44 131.56 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.37 -171.77 33.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -170.88 155.31 4.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -112.2 170.13 8.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.31 -176.65 15.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.35 141.16 30.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 109.965 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -141.26 173.19 11.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 p -139.45 79.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 12' ' ' CYS . 4.0 mt -93.49 161.59 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 25.5 p -99.12 132.93 44.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 108.333 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -158.98 138.85 11.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -50.9 143.9 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -170.11 -68.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -143.15 129.57 20.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m 42.99 88.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -122.85 128.72 50.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 18' ' ' LYS . 6.9 mp 60.23 150.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.46 150.02 97.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 18.3 Cg_endo -75.03 56.63 4.33 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 p -114.6 155.4 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 HD23 ' CB ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -50.23 -57.73 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 42.6 mt-10 -37.9 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . 8.9 m-20 -126.03 53.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -80.12 -44.67 19.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 3.6 mt-10 -59.4 -25.33 64.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -121.29 35.37 4.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -94.82 122.82 37.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 48.4 t0 -80.16 85.59 5.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 2.3 p -54.46 -33.43 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -8.21 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -75.37 -46.51 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 113' ' ' PHE . 62.3 m-85 -48.0 116.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -79.88 -1.16 37.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' GLN . . . -42.91 164.61 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 157.0 42.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -3.03 25.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -126.38 20.99 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 113' ' ' PHE . 38.6 tp -39.78 -58.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -107.25 63.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.74 124.83 23.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.54 38.65 58.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.0 m -112.3 105.83 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.4 mtm-85 -89.52 111.93 22.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.3 150.6 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.571 ' CD2' HD13 ' A' ' 74' ' ' LEU . 73.2 t80 -110.31 116.27 31.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.466 HD23 ' CG ' ' A' ' 59' ' ' LEU . 81.7 mt -87.97 130.91 34.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.18 137.25 25.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 108.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.35 -70.48 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.57 ' CE2' HD22 ' A' ' 59' ' ' LEU . 43.7 m-85 -42.02 161.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.12 -56.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.85 -132.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 50.3 mtt-85 -71.32 -38.92 71.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' ARG . 10.5 mttt -40.19 -49.27 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 51' ' ' PHE . 40.8 tp -66.88 -58.21 5.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.69 -34.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 61' ' ' ARG . 49.6 mmtt -66.74 -68.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -38.64 -40.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -57.26 -51.34 69.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 65' ' ' SER . 66.4 mtt85 -69.5 -31.16 69.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 31' ' ' VAL . 1.6 mp -69.26 -71.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.9 mt -38.65 -54.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -61.19 -44.59 97.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 2.7 t -54.81 -36.32 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -91.65 5.56 79.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.97 -20.62 27.91 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -46.82 164.88 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -119.98 122.87 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.61 106.42 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 73' ' ' GLN . 1.1 m-85 -80.32 141.27 35.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -79.35 -23.21 43.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 2.5 mt-30 -129.99 175.0 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -101.29 159.0 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.465 ' C ' ' CE1' ' A' ' 93' ' ' PHE . 35.2 m-80 -173.4 -175.71 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -74.64 -15.51 60.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -73.93 -35.46 64.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.4 t -44.67 122.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.551 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 47.3 p -99.09 -12.41 20.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 79' ' ' THR . 25.5 m80 -159.72 159.47 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.6 t -137.6 96.27 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 106' ' ' ALA . 1.2 mm -77.49 105.28 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.0 t -95.25 150.95 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.11 -34.22 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -141.64 -49.13 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.75 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.543 ' CE2' ' OD1' ' A' ' 88' ' ' ASP . 0.4 OUTLIER -168.21 145.85 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -116.43 104.71 11.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.543 ' OD1' ' CE2' ' A' ' 86' ' ' TYR . 44.2 m-20 -79.87 -56.71 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -40.04 -43.78 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' CD2' HG22 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -41.45 -48.46 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -55.94 -52.68 63.27 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -55.25 -54.01 48.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.489 ' CG ' HD21 ' A' ' 74' ' ' LEU . 35.6 t80 -53.32 -35.72 60.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -67.92 -33.1 74.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -80.51 -10.69 59.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -96.19 -79.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.7 m -99.1 157.79 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.57 99.01 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -159.77 156.45 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -125.79 92.0 47.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.0 36.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -84.88 105.16 15.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.462 HG22 ' CD2' ' A' ' 90' ' ' LEU . 85.1 t -92.03 109.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.482 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 29.7 m -135.35 177.37 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.76 148.5 18.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.478 ' CB ' HD23 ' A' ' 23' ' ' LEU . . . -41.96 -35.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.409 ' N ' HD22 ' A' ' 23' ' ' LEU . 2.0 tttt -40.73 -48.31 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.553 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 35.5 t90 -57.73 -61.16 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' TRP . 0.7 OUTLIER -39.36 -49.14 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 mt -56.08 -64.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.475 ' CB ' HD12 ' A' ' 119' ' ' LEU . 4.3 mm-40 -42.14 -42.0 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 71.9 m -58.34 -57.8 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.581 ' CD1' HD21 ' A' ' 40' ' ' LEU . 21.5 m-85 -68.46 -8.71 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.8 t -91.81 -44.05 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 1.6 mmtt -80.11 -21.62 43.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.78 -9.96 68.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.543 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 13.0 p90 -140.47 156.66 46.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.7 mtp -63.99 142.12 58.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.543 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 1.1 mt -116.15 176.74 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 58.5 m -64.84 146.26 55.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.524 ' OE2' ' CD2' ' A' ' 108' ' ' TRP . 1.6 mm-40 -96.19 -24.22 16.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.614 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.3 mt-10 -55.27 -44.39 99.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.16 5.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.482 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 69.4 m-85 -139.45 41.33 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 24.2 mm -85.36 140.68 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -101.67 109.96 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.53 172.58 6.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -82.16 178.02 53.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.44 1.087 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.71 9.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.6 t 68.61 160.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.6 p -137.99 -55.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -152.5 126.63 9.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -77.7 -165.76 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.38 -145.8 4.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 p -153.16 166.71 31.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.979 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.3 p -106.66 -175.15 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.59 -113.5 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 p -147.48 173.07 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.006 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.47 164.94 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.9 p -119.95 167.09 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -147.27 125.61 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.32 146.54 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.334 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -149.65 156.71 42.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.2 p -164.23 165.79 21.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 170.71 13.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -71.99 112.53 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.7 p -173.78 122.35 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.93 144.63 11.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mt -146.31 149.9 34.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.21 152.95 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 68.49 5.78 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.0 p -119.27 159.41 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -53.4 -58.11 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.52 -21.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -122.26 60.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.87 -41.43 9.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.04 -37.86 84.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -103.82 45.73 0.95 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' A' ' 26' ' ' LEU . 21.5 tp -102.74 149.75 24.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -114.74 80.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 7.2 p -54.06 -23.33 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -15.24 60.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -47.46 62.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CG ' ' HB3' ' A' ' 113' ' ' PHE . 45.9 m-85 -46.49 124.46 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ALA . 9.8 mm-40 -94.0 -1.75 54.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' CB ' HD23 ' A' ' 40' ' ' LEU . . . -44.06 166.65 0.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 154.81 42.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.432 1.754 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.18 -5.34 31.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -120.76 19.32 11.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 66' ' ' GLY . 37.7 tp -39.95 -58.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -104.59 66.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.98 123.29 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.59 37.68 93.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.5 m -119.4 108.79 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.545 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 4.4 mtt180 -91.88 109.26 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mp -110.3 154.47 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 74' ' ' LEU . 4.0 t80 -118.07 123.49 45.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 HD21 ' CG ' ' A' ' 59' ' ' LEU . 91.9 mt -89.56 129.74 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.54 139.09 45.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . 93.75 -68.91 1.47 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE1' ' CA ' ' A' ' 84' ' ' GLY . 30.3 m-85 -37.52 154.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -153.03 -68.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.96 -145.03 0.47 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -44.16 -45.0 8.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' CB ' HD11 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -42.85 -47.93 5.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 57' ' ' ASP . 35.9 tp -71.94 -63.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -35.49 -40.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' ARG . 14.1 mmtt -55.67 -69.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -41.99 -48.34 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -48.62 -41.58 31.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LYS . 85.3 mtt180 -75.9 -35.38 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 31' ' ' VAL . 2.7 mp -67.39 -69.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' LEU . 15.8 mt -37.29 -56.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -47.63 85.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' LEU . 9.4 t -55.19 -29.44 57.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -92.01 -15.9 52.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.52 -16.62 54.78 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.88 161.2 5.01 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 t -111.38 116.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 101.55 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 1.1 m-30 -76.55 121.95 23.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -74.81 -17.41 60.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -129.75 152.9 48.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -98.35 162.11 13.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 1.2 p-10 157.47 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -64.36 93.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 165.91 -34.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.476 ' CG1' HG21 ' A' ' 81' ' ' VAL . 51.1 t -54.83 115.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 50.4 p -85.89 -19.48 30.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.474 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 23.0 m80 -155.25 161.68 41.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.476 HG21 ' CG1' ' A' ' 78' ' ' VAL . 40.6 t -140.18 96.24 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.3 mm -78.57 108.64 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.565 HG11 ' CD2' ' A' ' 126' ' ' HIS . 82.9 t -93.71 131.13 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.581 ' CA ' ' CE1' ' A' ' 51' ' ' PHE . . . -94.1 -40.68 4.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -133.54 -47.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 85' ' ' ASP . 2.9 m-85 -151.21 176.78 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.29 75.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' GLU . 58.7 m-20 -82.88 -48.15 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.2 OUTLIER -37.79 -39.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.58 ' HB3' ' CZ3' ' A' ' 94' ' ' TRP . 4.1 mm? -47.9 -54.53 12.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' LEU . 19.7 mttt -38.39 -56.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.89 -53.73 24.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 75' ' ' ASN . 14.9 t80 -64.3 -32.61 74.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 26.2 m0 -74.38 -11.55 60.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -101.61 -0.32 34.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.228 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -110.61 -83.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -96.47 158.16 15.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.5 98.42 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -163.81 136.3 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.79 100.54 46.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.54 8.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -86.95 102.33 14.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.402 HG12 ' CG2' ' A' ' 83' ' ' VAL . 71.0 t -88.89 96.47 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 121' ' ' GLU . 28.4 m -122.99 175.74 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.3 150.63 17.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.434 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . . . -41.39 -36.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -38.89 -43.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.595 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 49.8 t90 -63.82 -64.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 108' ' ' TRP . 0.5 OUTLIER -38.96 -52.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.7 mt -50.46 -64.47 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.5 mm-40 -47.41 -41.07 19.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 31.2 m -53.84 -56.79 14.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.494 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 37.0 m-85 -68.63 -38.19 80.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -61.9 -41.87 98.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.14 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.2 mmtt -79.86 -25.98 40.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.71 -11.53 66.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.698 ' CZ ' ' CD2' ' A' ' 119' ' ' LEU . 9.1 p90 -140.37 149.16 42.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.477 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 60.7 mtp -59.88 140.76 56.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.698 ' CD2' ' CZ ' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -116.29 177.15 4.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.454 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 9.8 m -62.88 144.56 56.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 104' ' ' VAL . 0.8 OUTLIER -95.89 -10.14 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 21.4 mt-10 -66.53 -42.87 49.36 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.93 2.83 6.15 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.474 ' CB ' ' HB2' ' A' ' 108' ' ' TRP . 97.3 m-85 -140.23 42.48 1.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 25.7 mm -84.9 145.59 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.565 ' CD2' HG11 ' A' ' 83' ' ' VAL . 3.6 t-80 -106.5 110.77 23.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.614 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.4 173.18 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.04 114.72 4.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.91 2.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.773 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 131' ' ' SER . 4.8 m -141.05 -53.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 130' ' ' SER . 3.3 m 78.45 -59.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -166.49 117.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.01 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -97.19 170.61 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.89 179.06 31.23 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -165.23 167.18 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -126.01 148.07 49.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.74 84.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.7 p -115.58 89.18 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -102.88 127.98 49.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m 64.48 114.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -139.39 144.27 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.2 m -98.13 153.98 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.354 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -142.5 114.1 7.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.9 p -161.73 97.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.79 175.47 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -50.23 170.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 t -42.44 97.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.972 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ASN . 1.6 ttpm? -165.51 108.16 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.408 HD22 ' ND2' ' A' ' 25' ' ' ASN . 0.4 OUTLIER -96.01 -166.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.47 149.6 55.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 62.75 5.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -117.03 152.96 33.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -43.08 -58.89 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.13 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' ND2' HD22 ' A' ' 19' ' ' LEU . 20.7 m-20 -76.12 57.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.409 ' CD1' HD22 ' A' ' 29' ' ' LEU . 21.2 tp -96.74 -27.46 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.66 -42.91 70.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -96.14 36.36 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 26' ' ' LEU . 9.4 tp -92.32 158.84 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 19.3 t0 -120.41 84.65 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.526 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 7.2 p -53.45 -23.37 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -20.34 59.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.47 73.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.544 ' CE2' HD23 ' A' ' 62' ' ' LEU . 38.5 m-85 -45.73 119.11 2.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 13.2 tt0 -90.23 -0.91 57.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' CB ' ' HA2' ' A' ' 116' ' ' GLY . . . -44.66 168.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.43 41.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -76.13 -3.32 35.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -123.95 21.42 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' ASP . 51.3 tp -40.46 -59.16 1.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -102.36 54.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.51 131.3 49.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.63 42.46 20.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.26 109.32 13.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 3.7 mtm-85 -91.13 111.19 22.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.68 151.37 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CD2' ' HG ' ' A' ' 74' ' ' LEU . 9.9 t80 -114.34 120.16 39.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 HD21 ' CG ' ' A' ' 59' ' ' LEU . 44.9 mt -82.73 120.65 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.496 ' SG ' ' CG1' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -124.09 130.75 53.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 108.351 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.33 63.1 3.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 22.0 m-85 -153.16 128.97 10.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.54 133.32 4.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.962 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.37 -111.56 4.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 mtt85 -90.54 -49.99 6.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -45.76 -42.03 11.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 57' ' ' ASP . 9.5 tp -71.22 -68.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 56' ' ' LEU . 2.5 t0 -34.6 -47.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -52.1 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.512 ' CD2' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -47.29 -48.95 24.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 10.8 mtm180 -47.79 -43.8 27.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -73.62 -41.29 62.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.544 HD23 ' CE2' ' A' ' 34' ' ' PHE . 1.3 mp -58.48 -67.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.2 mt -40.89 -54.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -45.51 90.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 t -55.65 -37.44 68.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.05 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -87.38 0.39 85.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.88 -13.92 54.64 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -51.85 160.75 2.16 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 t -112.65 116.16 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.1 ttp-105 -80.8 105.35 11.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.485 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -79.92 124.02 28.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -75.79 -16.45 60.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -126.57 167.97 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -107.98 160.86 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.426 ' CG ' ' C ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER 170.23 -176.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.07 -16.09 63.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.25 -44.31 72.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.8 t -43.93 128.65 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.532 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.4 p -105.81 -9.99 16.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 79' ' ' THR . 26.7 m80 -158.95 157.2 30.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.496 ' CG1' ' SG ' ' A' ' 49' ' ' CYS . 36.1 t -137.01 99.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 1.2 mm -81.53 103.97 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.461 HG22 ' CG1' ' A' ' 103' ' ' VAL . 49.0 t -86.21 122.83 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.41 -47.24 3.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.546 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 1.5 t0 -122.74 -46.35 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.546 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 8.1 p90 -164.45 153.75 13.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.75 85.67 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' LYS . 86.8 m-20 -93.51 -52.33 4.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -37.58 -36.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.582 ' HB3' ' CZ3' ' A' ' 94' ' ' TRP . 2.8 mm? -50.65 -52.06 43.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' ASP . 13.3 mttt -38.69 -53.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -55.48 -54.53 42.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -57.26 -43.82 83.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.582 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 16.3 m0 -63.8 -27.42 69.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.11 -10.02 59.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.89 -83.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 63.0 m -95.64 157.73 15.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.52 98.92 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -155.4 149.37 25.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.566 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -125.46 90.46 50.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 166.66 28.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -78.32 101.79 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.631 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.461 ' CG1' HG22 ' A' ' 83' ' ' VAL . 97.1 t -90.2 96.88 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.478 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 35.4 m -124.8 178.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.37 151.54 17.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.466 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.58 -37.95 1.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' ALA . 16.1 tttt -38.68 -48.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.554 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 54.2 t90 -52.42 -67.45 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 108' ' ' TRP . 10.6 tp -40.02 -59.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 109' ' ' LEU . 42.1 mt -39.91 -62.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 1.9 mm-40 -55.38 -41.86 73.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 43.2 m -52.21 -51.2 59.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 24.0 m-85 -71.97 -43.96 64.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.0 t -56.53 -39.38 73.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.4 mmtt -80.89 -25.46 37.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.44 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 94.61 -11.15 70.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.689 ' CZ ' ' CD2' ' A' ' 119' ' ' LEU . 11.7 p90 -139.46 148.24 42.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 75.6 mtp -59.98 137.66 58.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.689 ' CD2' ' CZ ' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -111.56 176.92 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.454 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 2.6 p -62.04 147.02 48.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 125' ' ' ILE . 3.7 mt-10 -95.66 -11.16 27.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 18.9 mt-10 -65.7 -43.76 61.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.98 11.59 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.478 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 96.6 m-85 -149.85 43.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 26.1 mm -90.49 149.84 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.437 ' CD2' HG12 ' A' ' 83' ' ' VAL . 1.9 t-80 -114.04 107.49 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 t -112.56 172.82 6.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -124.15 107.97 1.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 130' ' ' SER . 18.4 Cg_endo -74.98 -42.26 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 129' ' ' PRO . 0.5 OUTLIER 41.99 92.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.17 131.63 50.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -147.39 153.86 40.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -164.91 166.81 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.33 -164.56 18.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -178.91 147.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 110.01 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.39 156.48 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.6 165.71 16.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.82 169.22 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -139.11 79.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.312 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 p -166.67 79.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.89 112.81 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 p -145.9 149.76 34.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.329 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -142.92 138.92 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.93 103.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.25 158.54 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -147.25 119.65 8.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -43.46 125.8 4.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.3 124.69 47.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp 60.43 150.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -56.18 144.76 59.18 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 58.59 4.92 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 p -96.27 173.91 7.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' CD2' ' HB2' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -63.47 -63.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.23 -56.52 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -88.14 58.82 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 29' ' ' LEU . 50.8 tp -98.05 -35.28 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.587 1.179 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -65.8 -48.64 71.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -73.49 -28.93 62.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.548 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 2.0 tp -46.15 141.28 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 12.0 t0 -108.12 93.58 4.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 1.7 p -52.44 -35.92 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -64.25 -10.9 26.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -73.58 -46.7 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.548 ' CZ ' HD12 ' A' ' 29' ' ' LEU . 52.9 m-85 -48.61 126.47 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -92.22 4.79 52.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.73 167.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 167.63 26.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -86.5 10.78 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.33 22.56 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 116' ' ' GLY . 54.2 tp -41.76 -67.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD12 ' CZ ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -93.29 54.24 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.64 128.08 34.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.97 40.29 72.43 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.6 m -123.26 114.73 20.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' CD ' ' CE1' ' A' ' 71' ' ' PHE . 9.9 mtm-85 -95.58 111.32 23.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.31 156.58 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.519 ' CZ ' HD22 ' A' ' 74' ' ' LEU . 70.6 t80 -120.2 123.25 42.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 59' ' ' LEU . 97.0 mt -92.52 129.77 38.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -145.27 139.08 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.58 69.05 1.42 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.68 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 7.2 m-85 -147.48 -78.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.415 ' N ' ' HB2' ' A' ' 56' ' ' LEU . 4.0 p 53.33 173.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.84 -157.72 15.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -55.51 -46.35 76.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' CB ' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -40.2 -50.0 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HB2' ' N ' ' A' ' 52' ' ' SER . 27.5 tp -66.15 -57.22 8.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.46 -42.12 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ARG . 46.6 mmtt -55.16 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.68 ' CD2' ' CZ ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -42.19 -48.84 4.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -49.41 -40.41 36.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' LYS . 77.6 mtt180 -78.52 -40.67 34.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.552 ' O ' ' CZ ' ' A' ' 113' ' ' PHE . 1.0 OUTLIER -60.88 -65.82 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.457 ' CD1' HD12 ' A' ' 48' ' ' LEU . 16.5 mt -39.3 -54.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.85 -45.14 82.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -58.67 -23.5 59.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -97.92 -14.84 38.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.65 -15.77 61.43 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.22 167.83 0.82 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.2 t -118.14 117.92 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.49 ' CZ ' ' OD1' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -78.46 105.58 9.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.446 ' CE1' ' CD ' ' A' ' 45' ' ' ARG . 1.3 m-85 -79.68 129.56 34.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.49 ' OD1' ' CZ ' ' A' ' 70' ' ' ARG . 2.2 m120 -96.15 10.42 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -143.13 149.65 38.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.519 HD22 ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -93.26 122.23 35.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -154.28 -177.22 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -74.14 -26.84 60.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -57.07 -34.86 68.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.48 130.23 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.454 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 50.2 p -105.15 -14.63 15.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.454 ' ND1' ' C ' ' A' ' 79' ' ' THR . 21.2 m80 -155.95 159.04 38.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.97 104.71 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 mm -85.6 112.69 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.4 t -101.87 138.5 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.9 -44.92 1.69 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 3.8 m-20 -124.46 -45.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 11.0 p90 -167.74 165.15 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 15.6 p-10 -130.55 100.06 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' GLU . 9.5 m-20 -93.73 -54.61 3.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' ASP . 2.6 tt0 -38.23 -45.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.569 HD23 ' CZ2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -44.97 -57.27 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -40.07 -44.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.74 -46.65 81.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 11.9 t80 -64.1 -25.79 68.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.569 ' CZ2' HD23 ' A' ' 90' ' ' LEU . 5.9 m0 -75.43 -23.16 56.93 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -90.93 -7.85 50.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -99.74 -72.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.406 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 68.5 m -103.69 157.8 16.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -99.74 99.3 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -162.15 149.27 13.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.564 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -121.2 91.3 48.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.66 30.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.406 ' CB ' ' OE1' ' A' ' 121' ' ' GLU . 21.0 m-70 -83.4 102.52 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.592 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.5 t -91.49 94.6 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.499 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 27.2 m -120.68 174.63 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.77 149.72 18.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.438 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . . . -41.56 -37.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' ALA . 6.0 tttm -38.34 -41.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.456 ' HB2' ' CB ' ' A' ' 124' ' ' TYR . 50.0 t90 -63.32 -69.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.5 tp -41.56 -48.42 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 mt -48.58 -63.52 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.476 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.5 mm-40 -51.11 -44.66 61.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 73.4 m -51.06 -59.61 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.552 ' CZ ' ' O ' ' A' ' 62' ' ' LEU . 23.6 m-85 -63.47 -7.47 6.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.476 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.69 -41.77 11.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.2 OUTLIER -87.48 -25.2 23.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . 97.75 -12.51 64.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.665 ' CZ ' ' CD2' ' A' ' 119' ' ' LEU . 4.5 p90 -129.54 145.72 51.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 70.5 mtp -60.35 143.95 51.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.665 ' CD2' ' CZ ' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -117.14 176.82 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.44 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 23.5 m -64.0 147.06 52.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.417 ' O ' HG12 ' A' ' 125' ' ' ILE . 29.5 mt-10 -95.48 -19.45 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 21.0 mt-10 -55.79 -44.22 99.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.12 5.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 97.6 m-85 -141.76 44.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.446 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 31.1 mm -87.87 149.52 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -111.53 107.66 16.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 62.5 m -114.48 150.43 34.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -88.36 -163.41 39.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.95 13.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.441 1.758 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.47 155.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 p -138.92 117.08 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 p -124.28 108.01 11.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.04 79.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.06 -149.13 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.549 1.155 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 p -163.64 157.61 19.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 m -66.24 -64.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.47 -91.07 0.59 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p 71.63 153.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.36 97.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.05 164.54 15.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 tt -60.53 124.85 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -147.68 161.26 41.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.319 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -53.84 162.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 t -156.49 140.1 15.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.04 138.71 19.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 64.28 79.92 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -154.24 109.55 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -72.38 133.95 45.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 mp -87.69 -170.14 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.06 149.54 86.04 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 18.3 Cg_endo -75.0 70.64 5.25 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.5 p -122.62 165.53 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.609 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -62.27 -62.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -42.58 -26.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 23' ' ' LEU . 1.3 m-20 -120.0 58.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.464 HD23 ' CD2' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -86.14 -35.96 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -66.87 -35.53 80.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 17' ' ' SER . 1.6 t30 -105.48 38.18 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 58' ' ' LYS . 14.2 tp -100.66 136.99 39.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -97.96 98.03 9.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.476 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -69.44 -19.36 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.62 6.22 32.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.7 -44.46 8.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 113' ' ' PHE . 65.8 m-85 -47.66 118.62 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 17.7 tt0 -87.57 -2.43 58.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' CB ' ' HA2' ' A' ' 116' ' ' GLY . . . -45.3 169.91 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 157.4 43.01 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.36 -2.29 24.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.02 27.71 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' CD2' ' CD1' ' A' ' 113' ' ' PHE . 38.5 tp -46.49 -62.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -101.08 41.17 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 4.7 t0 -46.27 128.38 9.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.06 42.45 39.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 42' ' ' ASP . 58.7 m -119.21 110.19 16.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 5.3 mtt-85 -93.21 109.54 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.472 ' CG2' HG12 ' A' ' 82' ' ' ILE . 1.6 mt -110.29 140.86 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 74' ' ' LEU . 27.9 t80 -94.91 114.66 26.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 63.9 mt -84.31 116.61 23.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' PHE . 4.4 t -117.9 163.68 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.317 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.08 -65.52 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.682 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 18.6 m-85 -37.46 140.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 t -156.41 -49.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.039 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.84 -116.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -81.14 -43.5 19.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 3.2 mttt -40.04 -40.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASP . 18.2 tp -71.8 -64.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' LEU . 8.6 t0 -39.85 -45.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 29' ' ' LEU . 24.6 mmtt -56.65 -61.91 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.682 ' CD1' ' CE2' ' A' ' 51' ' ' PHE . 71.0 mt -48.81 -50.91 32.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG2' ' CD ' ' A' ' 70' ' ' ARG . 63.2 mtp180 -43.71 -26.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 59' ' ' LEU . 91.7 mtt180 -92.51 -39.39 11.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.542 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -64.56 -63.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 3.2 mt -48.63 -31.17 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.03 -47.16 16.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -48.09 70.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -72.32 -2.08 53.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.31 -15.57 53.35 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -48.42 172.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.94 113.39 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -76.03 120.04 20.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -103.38 124.64 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -78.19 -18.73 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -119.41 164.45 15.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -105.31 158.6 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 167.82 173.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -56.57 -16.86 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -70.96 -27.04 63.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.95 125.48 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.559 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 31.9 p -101.65 -12.49 18.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 79' ' ' THR . 23.6 m80 -159.96 143.69 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.7 t -122.18 102.74 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 46' ' ' ILE . 1.5 mm -83.17 100.79 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.565 HG13 ' CD2' ' A' ' 126' ' ' HIS . 87.2 t -82.06 138.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.13 -17.18 5.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -132.54 -69.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.504 ' CG ' ' N ' ' A' ' 87' ' ' ASP . 8.3 p90 -159.02 -40.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' N ' ' CG ' ' A' ' 86' ' ' TYR . 6.2 m-20 68.1 110.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.412 ' HB2' ' CE2' ' A' ' 86' ' ' TYR . 1.8 t0 -94.42 -45.2 7.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' GLN . 2.3 tt0 -44.87 -41.64 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 103' ' ' VAL . 1.1 tp -46.6 -35.65 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -71.31 -41.78 69.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -67.6 -47.84 68.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.411 ' CG ' HD22 ' A' ' 74' ' ' LEU . 32.4 t80 -56.17 -30.67 62.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -71.56 -20.89 61.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 107.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -6.14 42.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -99.55 -82.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.8 m -93.86 157.84 15.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.961 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.16 98.9 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -164.06 153.12 13.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.633 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.25 89.49 51.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.361 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 155.78 43.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.438 1.757 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 64.0 m-70 -71.59 101.6 2.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.562 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.512 ' CG1' HG21 ' A' ' 83' ' ' VAL . 46.7 t -87.78 94.72 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 33.3 m -129.41 179.29 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -107.1 150.52 16.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.609 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -42.17 -37.35 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.429 ' N ' HD22 ' A' ' 23' ' ' LEU . 7.9 tttt -39.72 -43.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 36.2 t90 -57.96 -65.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' CYS . 18.2 tp -40.74 -58.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' LEU . 23.9 mt -39.12 -59.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 1.2 mm-40 -57.18 -39.02 74.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 34.3 m -54.44 -50.21 68.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.557 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 28.5 m-85 -74.68 -43.13 56.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.3 t -56.59 -40.19 74.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.6 mmtt -80.61 -25.77 38.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.431 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 98.18 -13.72 63.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.699 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 4.1 p90 -139.45 150.61 45.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 37.3 mtp -61.1 140.08 57.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.699 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -113.71 177.01 4.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.463 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 52.9 m -61.7 143.23 56.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.058 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.424 ' HB3' ' CG1' ' A' ' 104' ' ' VAL . 0.7 OUTLIER -95.97 -10.99 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 26.5 mt-10 -66.62 -43.04 49.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.6 Cg_endo -74.94 3.02 5.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.462 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 80.0 m-85 -136.56 38.03 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 18.3 mm -83.59 149.24 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.565 ' CD2' HG13 ' A' ' 83' ' ' VAL . 27.4 t60 -113.88 116.79 29.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.88 -67.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 170.46 -118.13 0.74 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -55.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.4 119.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.23 148.6 50.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -146.17 168.2 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -48.97 169.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.049 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 -156.09 32.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.2 p -165.26 168.96 16.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -167.98 146.64 4.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.55 159.96 24.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -59.23 100.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.985 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -154.79 151.56 28.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 m -56.45 112.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 pp -130.08 151.91 36.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.07 139.32 42.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -132.1 156.52 46.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.6 145.53 24.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -67.01 161.8 23.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -152.55 154.02 34.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 t 61.12 54.5 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -43.15 111.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER 61.03 145.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 148.62 1.98 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 67.81 5.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.0 p -116.47 173.39 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD12 ' CB ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -71.11 -54.03 12.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -40.48 -30.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' LEU . 2.1 m-80 -129.0 51.4 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -77.61 -35.84 52.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -74.06 -15.43 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -107.35 -8.86 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.9 128.18 34.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 13.9 t70 -89.1 94.01 9.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.476 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 p -51.85 -34.92 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -63.22 -14.56 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -69.51 -47.65 63.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 113' ' ' PHE . 55.2 m-85 -46.99 122.24 4.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -92.8 1.89 57.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.08 168.22 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.22 41.5 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.87 -0.08 22.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -126.71 18.87 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' GLY . 36.9 tp -39.4 -52.39 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' ' CA ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -109.61 66.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -73.72 128.31 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.53 41.81 49.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.9 m -118.4 118.29 31.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.556 ' HD2' ' CZ ' ' A' ' 71' ' ' PHE . 38.9 mtm-85 -97.56 109.75 22.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 80' ' ' HIS . 2.4 mt -113.49 154.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CD2' ' HG ' ' A' ' 74' ' ' LEU . 4.5 t80 -119.04 119.04 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 68.4 mt -84.72 129.6 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.77 140.98 34.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 108.292 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.8 40.49 57.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.528 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 27.7 m-85 -139.3 132.79 30.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.0 p -160.03 139.74 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.79 -118.37 5.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -52.43 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -41.52 -55.98 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' ASP . 8.3 tp -60.12 -61.2 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -39.67 -46.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -56.63 -68.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.528 ' CD2' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -47.01 -43.32 19.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -54.32 -36.26 63.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -81.14 -34.87 32.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.225 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 34' ' ' PHE . 2.5 mp -63.05 -68.58 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' LEU . 5.4 mt -38.77 -55.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -59.18 -44.65 92.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 45.1 t -60.29 -21.65 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -101.56 -13.1 33.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.6 -12.1 67.88 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -53.42 155.0 6.54 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t -100.57 109.4 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -75.78 101.1 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CZ ' ' HD2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -78.06 123.58 27.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -76.34 -14.6 60.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -132.64 172.33 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -107.98 168.95 8.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 166.22 -174.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -73.4 -3.25 26.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -43.82 15.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.47 HG12 ' CG2' ' A' ' 81' ' ' VAL . 78.4 t -45.55 131.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.55 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 72.7 p -105.42 -16.16 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.595 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 1.7 m80 -161.19 142.39 11.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.47 ' CG2' HG12 ' A' ' 78' ' ' VAL . 25.6 t -124.0 107.43 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.3 mm -75.75 102.46 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.587 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 72.8 t -95.34 114.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.16 -71.53 1.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -106.22 -34.75 7.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -176.26 164.33 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -131.06 117.39 19.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -92.62 -56.64 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -42.32 -50.29 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.59 HD22 ' CZ2' ' A' ' 94' ' ' TRP . 0.2 OUTLIER -47.78 -60.45 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' LEU . 77.3 mttt -38.69 -41.42 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -46.8 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 90' ' ' LEU . 49.5 t80 -60.3 -23.41 64.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.59 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 6.2 m0 -74.01 -12.99 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 108.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -117.05 11.3 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -107.78 -77.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.8 m -105.39 158.12 16.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.2 97.34 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -162.68 152.75 16.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.611 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.11 90.79 50.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.72 24.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.595 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 81.0 m-70 -62.54 99.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 0.4 OUTLIER -88.68 121.26 38.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.466 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 26.8 m -147.29 175.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.35 150.06 18.0 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.442 ' CB ' HD12 ' A' ' 23' ' ' LEU . . . -42.04 -36.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -41.51 -45.6 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.599 ' CZ3' ' OE2' ' A' ' 121' ' ' GLU . 58.1 t90 -55.11 -68.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 108' ' ' TRP . 12.7 tp -39.77 -51.11 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 74.8 mt -49.27 -56.45 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.7 mm-40 -60.55 -35.89 77.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 30.8 m -58.04 -58.77 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.524 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 35.8 m-85 -67.43 -33.54 75.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.4 t -65.63 -43.32 89.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.1 mmtt -79.86 -19.66 47.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 89.0 -13.06 64.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.683 ' CZ ' ' CD2' ' A' ' 119' ' ' LEU . 21.3 p90 -136.58 138.04 40.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 85.3 mtp -54.07 134.52 43.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.683 ' CD2' ' CZ ' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -106.88 176.6 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.463 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 60.6 m -60.52 141.73 56.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.599 ' OE2' ' CZ3' ' A' ' 108' ' ' TRP . 2.6 mt-10 -96.06 -12.68 24.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 23.5 mt-10 -67.36 -44.24 45.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.96 2.1 6.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.466 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 76.2 m-85 -137.03 37.54 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.458 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 11.3 mm -78.52 135.92 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.587 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 5.7 t60 -99.02 107.02 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.644 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.8 p -115.02 -70.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -171.61 -145.73 4.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 163.79 34.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.46 157.38 8.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.65 163.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 t -168.23 95.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.15 167.85 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.94 -105.5 0.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.9 p -163.16 131.17 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 0.739 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -95.15 170.24 9.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 110.008 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.3 119.32 3.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.6 p -140.45 144.54 36.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 110.033 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.73 129.19 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.3 p -172.32 147.97 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 tp -115.89 136.56 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -124.05 153.12 41.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 108.249 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -123.84 151.33 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.9 t -122.49 133.37 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.99 169.25 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -55.95 100.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.7 145.82 21.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.29 145.7 34.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mt -154.25 164.55 38.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.59 149.76 5.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 67.57 5.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.564 1.823 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -109.05 164.07 12.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD22 ' CB ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -59.64 -54.47 46.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.5 -52.92 33.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -88.93 54.39 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.2 tp -97.2 -27.55 14.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -77.61 -44.34 28.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -81.11 -10.26 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -65.88 141.92 58.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 18.6 t0 -103.38 94.11 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.477 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 1.5 p -55.68 -34.76 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -10.53 35.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -72.28 -47.81 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.564 ' CE2' HD11 ' A' ' 29' ' ' LEU . 63.7 m-85 -50.09 130.28 22.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -98.67 10.16 41.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.98 169.78 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 166.0 30.03 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -83.39 3.01 33.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -134.46 23.21 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 116' ' ' GLY . 44.1 tp -38.93 -67.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB2' ' CA ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -87.78 54.88 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.44 117.86 14.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.51 77.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.0 m -125.98 105.53 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.53 ' HA ' HG12 ' A' ' 69' ' ' VAL . 73.1 mtm180 -89.43 112.07 23.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mp -103.72 163.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.603 ' CE2' ' CD2' ' A' ' 74' ' ' LEU . 55.4 t80 -126.26 113.96 17.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' A' ' 63' ' ' ILE . 67.8 mt -82.22 130.16 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -147.38 108.72 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.248 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.64 52.95 1.08 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' A' ' 59' ' ' LEU . 44.7 m-85 -151.08 132.15 14.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.2 t -163.42 148.58 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.964 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.48 -102.5 2.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.74 -54.64 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -40.55 -46.11 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' ASP . 3.4 tp -67.01 -63.07 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -38.41 -36.21 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 44.4 mmtt -64.24 -67.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -46.04 -34.99 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.465 ' HG2' ' CD ' ' A' ' 70' ' ' ARG . 3.4 mtt-85 -62.17 -43.59 98.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -76.73 -38.21 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -63.07 -67.25 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.477 ' CD1' HD12 ' A' ' 48' ' ' LEU . 28.2 mt -39.64 -54.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -57.62 -43.52 84.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' LEU . 12.7 t -60.16 -23.04 63.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -104.1 -6.52 42.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.22 -9.57 66.43 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -56.49 171.85 2.18 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -101.77 169.35 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' CD ' ' HG2' ' A' ' 60' ' ' ARG . 49.0 ttp85 -136.72 85.16 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE1' HG11 ' A' ' 69' ' ' VAL . 3.2 m-85 -82.66 157.4 23.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -120.66 -0.32 10.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -127.2 146.38 50.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.603 ' CD2' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -87.57 122.91 31.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.43 ' ND2' HG22 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -147.01 -173.39 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -80.82 -27.26 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -33.51 72.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.43 HG22 ' ND2' ' A' ' 75' ' ' ASN . 65.4 t -55.33 124.24 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.476 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 52.6 p -103.05 -11.21 18.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.41 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.476 ' ND1' ' C ' ' A' ' 79' ' ' THR . 38.1 m80 -155.12 152.62 29.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.3 t -134.2 104.84 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 mm -85.12 109.45 18.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.489 HG11 ' CD2' ' A' ' 126' ' ' HIS . 19.5 t -98.08 121.23 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -88.54 -42.98 5.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.29 -44.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -167.59 173.38 8.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -142.47 106.82 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.61 -49.34 5.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.0 OUTLIER -41.89 -52.97 3.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.494 HD23 ' CH2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -40.95 -58.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LEU . 50.7 mttt -39.38 -39.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -73.52 -45.87 51.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' LEU . 40.6 t80 -62.28 -29.12 70.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.494 ' CH2' HD23 ' A' ' 90' ' ' LEU . 2.6 m0 -72.21 -17.95 61.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -102.89 7.69 39.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -111.59 -82.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 m -97.41 157.8 15.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.54 98.53 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -159.41 150.2 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.613 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -120.06 91.05 45.29 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.03 39.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.49 ' CG ' ' OE1' ' A' ' 121' ' ' GLU . 16.4 m-70 -85.05 102.03 12.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.643 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.7 t -90.98 110.65 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.505 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 28.5 m -138.54 172.98 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.48 151.86 19.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.435 ' CB ' HD22 ' A' ' 23' ' ' LEU . . . -42.09 -38.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 106' ' ' ALA . 12.3 tttt -39.78 -33.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.456 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 62.2 t90 -67.03 -69.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 41' ' ' LEU . 15.5 tp -41.0 -48.83 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 29' ' ' LEU . 74.8 mt -50.18 -62.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.531 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 3.6 mm-40 -52.17 -42.69 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.456 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 74.7 m -52.46 -56.08 17.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.542 ' CD2' HD22 ' A' ' 62' ' ' LEU . 28.1 m-85 -67.69 -5.42 15.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.531 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.22 -42.9 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -85.29 -26.32 26.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . 106.68 -18.65 37.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -128.55 168.73 15.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 26.6 mtp -73.02 144.54 47.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.494 ' CD1' ' HE2' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -112.36 177.31 4.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.469 ' HB2' ' CG ' ' A' ' 123' ' ' PRO . 72.4 m -67.68 150.29 48.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.49 ' OE1' ' CG ' ' A' ' 102' ' ' HIS . 3.4 mt-10 -95.72 -31.32 13.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 19.5 mt-10 -50.97 -45.79 87.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -74.99 2.39 6.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 55.3 m-85 -141.12 44.71 1.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.444 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 29.4 mm -87.11 145.66 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.489 ' CD2' HG11 ' A' ' 83' ' ' VAL . 41.8 t60 -105.64 109.82 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.6 t -115.91 -48.18 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.04 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 168.4 156.04 10.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.157 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 63.19 5.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.0 m 56.14 103.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.75 90.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 41.76 90.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -121.48 152.54 39.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.47 178.75 51.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -167.88 148.28 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 110.031 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -93.3 171.96 8.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.87 95.8 1.65 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.5 p -174.83 119.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.13 127.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -78.17 140.86 38.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 tp -47.29 123.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.8 t -176.84 150.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -130.15 136.22 49.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.3 p -153.56 163.98 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -143.53 176.95 8.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.19 153.35 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.39 136.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER 66.74 145.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -38.46 119.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.94 149.62 53.75 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.428 ' HB3' ' CD1' ' A' ' 29' ' ' LEU . 18.6 Cg_endo -74.94 66.65 5.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.05 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.444 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 82.0 p -109.24 159.62 16.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -58.01 -53.09 62.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -38.62 -34.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' ND2' ' OG1' ' A' ' 22' ' ' THR . 4.4 p30 -122.98 50.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.09 -34.39 56.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 23.8 mt-10 -73.02 -29.61 63.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.01 18.87 21.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 9.3 tp -78.79 161.42 26.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.426 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 22.4 t0 -125.37 87.92 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 6.5 p -54.72 -27.75 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.39 -0.61 20.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.96 -45.19 13.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CE2' HD21 ' A' ' 62' ' ' LEU . 58.9 m-85 -53.78 131.72 40.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 36' ' ' ALA . 8.6 mm-40 -100.81 0.36 38.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 35' ' ' GLN . . . -44.62 168.05 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.81 41.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -74.63 -11.24 60.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -115.36 20.51 14.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' ASP . 47.9 tp -39.58 -55.64 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -105.19 51.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.43 129.47 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.41 41.66 48.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.0 m -115.1 120.78 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -103.06 102.55 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.477 ' CG2' HG12 ' A' ' 82' ' ' ILE . 3.7 mt -108.02 157.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CZ ' HD23 ' A' ' 74' ' ' LEU . 16.5 t80 -123.89 124.01 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.485 HD21 ' CG ' ' A' ' 59' ' ' LEU . 85.9 mt -88.57 145.5 25.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' CB ' ' OD2' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -164.11 149.25 10.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.36 59.71 8.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.571 1.17 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' SER . 18.7 m-85 -147.67 -84.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER 52.49 102.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.72 -152.3 16.88 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' CD ' ' HB3' ' A' ' 27' ' ' GLU . 58.7 mtt180 -48.09 -60.08 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.304 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HE2' ' CD1' ' A' ' 23' ' ' LEU . 16.1 mttt -42.62 -44.25 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 57' ' ' ASP . 53.9 tp -66.85 -69.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 56' ' ' LEU . 19.2 t70 -37.8 -47.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -47.95 -64.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.485 ' CG ' HD21 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -50.77 -45.76 59.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -52.82 -39.04 62.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -79.8 -35.68 38.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.548 ' O ' ' CZ ' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -65.57 -67.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.453 HG13 ' CD2' ' A' ' 109' ' ' LEU . 13.7 mt -40.85 -54.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.55 -41.92 86.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' LEU . 32.5 t -64.46 -15.62 61.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -109.05 -1.88 31.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.88 -12.29 53.73 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -54.25 159.88 4.86 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.508 HG13 ' CD1' ' A' ' 71' ' ' PHE . 7.2 t -107.09 110.53 32.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.776 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -82.93 96.45 8.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CD1' HG13 ' A' ' 69' ' ' VAL . 1.3 m-30 -75.3 149.25 38.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -114.63 -3.87 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -118.82 144.32 46.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -88.69 117.82 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.76 164.16 38.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.35 -18.43 17.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -41.14 98.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.4 t -51.66 132.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.571 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 43.9 p -105.22 -17.38 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.609 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 0.5 OUTLIER -161.82 142.94 10.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.648 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' HIS . 42.7 t -120.7 106.89 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.477 HG12 ' CG2' ' A' ' 46' ' ' ILE . 1.7 mm -75.26 101.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.579 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 60.5 t -98.41 125.99 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.77 -52.9 2.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -120.38 -43.94 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -174.88 154.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.502 ' OD2' ' CB ' ' A' ' 49' ' ' CYS . 4.2 t0 -120.9 112.31 18.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.436 ' OD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.5 m-20 -75.26 -56.9 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -56.98 5.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.27 -61.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -41.14 -47.69 3.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -69.44 -52.32 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.575 ' CD2' HD11 ' A' ' 74' ' ' LEU . 45.5 t80 -55.05 -25.86 33.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -72.39 -12.32 61.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -117.65 12.42 14.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -111.26 -76.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.8 m -97.72 157.75 15.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.66 98.29 10.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -165.48 157.88 15.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.586 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -126.47 90.25 50.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.57 24.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.609 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 82.4 m-70 -61.74 99.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.585 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -89.49 116.8 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 35.3 m -144.59 176.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.6 149.6 17.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.103 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.464 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.73 -37.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 106' ' ' ALA . 11.4 tttt -39.5 -46.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.598 ' CH2' ' OE2' ' A' ' 121' ' ' GLU . 53.2 t90 -54.19 -66.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 107.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.453 ' CD2' HG13 ' A' ' 63' ' ' ILE . 8.2 tp -39.97 -53.72 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' SER . 30.6 mt -46.92 -60.38 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.4 mm-40 -55.1 -38.09 67.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.58 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 57.0 m -59.26 -58.27 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.27 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 62' ' ' LEU . 28.6 m-85 -67.36 -24.28 65.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 110' ' ' LEU . 18.5 t -76.4 -39.65 53.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.7 mmtt -82.18 -25.45 34.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.83 -14.17 63.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.705 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 3.7 p90 -138.63 140.26 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 70.3 mtp -52.83 137.33 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.705 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 1.7 mt -110.5 175.1 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.482 ' HB2' ' CG ' ' A' ' 123' ' ' PRO . 50.7 m -56.73 139.07 51.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.598 ' OE2' ' CH2' ' A' ' 108' ' ' TRP . 2.9 mt-10 -96.06 -10.05 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.631 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 15.0 mt-10 -70.39 -43.85 17.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.96 3.68 5.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 69.9 m-85 -137.05 33.24 2.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.468 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 5.7 mm -73.62 138.67 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.579 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 7.9 t60 -100.28 105.78 17.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.589 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.3 t -121.73 -71.46 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 153.38 92.53 0.09 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.37 37.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.5 m 68.73 166.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -173.73 131.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -83.91 157.06 22.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.4 113.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.172 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.4 164.24 29.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.27 -58.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -172.85 150.52 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.77 -163.78 13.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t 63.76 90.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 0.798 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.16 127.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.96 -58.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.5 tt -42.93 162.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 p -148.04 152.93 38.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.38 140.65 46.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 98.2 p -106.12 133.54 50.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -174.83 133.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -94.07 94.86 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 1.4 m -168.79 136.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.54 140.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mt -154.58 176.56 12.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.79 157.66 10.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 29' ' ' LEU . 18.4 Cg_endo -74.99 54.93 3.78 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.6 p -102.99 165.29 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -57.6 12.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.43 -22.61 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -121.69 61.32 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -93.21 -46.26 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.29 -28.73 65.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 17' ' ' SER . 3.3 m-80 -111.53 41.93 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 25.5 tp -100.31 154.8 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 33' ' ' ALA . 63.2 t0 -118.91 83.3 2.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -52.74 -23.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.03 20.5 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -105.8 -42.8 5.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.477 ' CG ' ' HB3' ' A' ' 113' ' ' PHE . 79.4 m-85 -55.26 121.01 7.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -79.22 -1.91 38.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.26 164.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.8 42.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.567 1.825 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.27 1.46 21.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.87 19.54 7.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 66' ' ' GLY . 45.9 tp -40.97 -59.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -100.91 63.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.14 123.36 25.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.32 37.54 87.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.9 m -123.64 109.72 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HB3' ' HA ' ' A' ' 78' ' ' VAL . 8.0 mtm-85 -88.62 126.01 35.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mp -125.9 148.2 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' CD2' HD22 ' A' ' 74' ' ' LEU . 82.5 t80 -114.53 119.07 35.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.499 HD22 ' CG ' ' A' ' 59' ' ' LEU . 44.5 mt -82.11 121.88 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.529 ' SG ' ' CG1' ' A' ' 81' ' ' VAL . 0.5 OUTLIER -128.6 148.87 50.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 59.29 37.95 92.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.425 ' CE2' HD23 ' A' ' 59' ' ' LEU . 20.0 m-85 -137.48 119.21 15.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.98 -66.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.13 -170.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -38.85 -36.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' CB ' HD12 ' A' ' 26' ' ' LEU . 2.5 mttt -41.73 -50.79 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 48' ' ' LEU . 10.6 tp -64.79 -59.88 3.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' LEU . 12.6 t70 -39.17 -51.1 1.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -51.01 -70.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.499 ' CG ' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -40.49 -58.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -39.58 -44.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.9 mtt-85 -73.7 -43.13 60.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD21 ' CD2' ' A' ' 113' ' ' PHE . 1.4 mp -59.56 -67.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 62' ' ' LEU . 36.8 mt -38.33 -56.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -44.89 87.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' LEU . 40.5 t -59.37 -31.78 69.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -83.65 -19.78 61.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.67 -13.02 58.07 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -64.68 161.52 39.49 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 t -107.8 121.87 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.56 108.94 19.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.633 ' CZ ' ' CB ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -85.86 115.46 23.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 72' ' ' ASN . 8.6 p-10 -73.67 -8.63 56.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -128.8 138.29 51.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -76.28 120.64 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -150.47 -174.0 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 17.6 mt-10 -82.73 8.47 12.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.633 ' CB ' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -88.09 -47.91 8.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -62.04 137.96 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.516 ' OG1' ' ND1' ' A' ' 80' ' ' HIS . 69.7 p -111.31 -11.23 14.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.0 m80 -138.63 147.68 43.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.529 ' CG1' ' SG ' ' A' ' 49' ' ' CYS . 24.4 t -128.93 94.3 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 106' ' ' ALA . 0.9 OUTLIER -76.82 99.99 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.8 t -91.43 127.08 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.46 -52.54 1.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.4 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -104.88 -49.93 3.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.4 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 7.4 p90 -171.64 170.31 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -122.16 83.38 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -94.33 -27.54 16.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -82.69 -51.74 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.487 HD11 ' CH2' ' A' ' 94' ' ' TRP . 0.4 OUTLIER -51.46 -21.32 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -72.15 -36.55 69.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.76 -42.43 95.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 97' ' ' SER . 36.7 t80 -61.71 -20.37 63.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.487 ' CH2' HD11 ' A' ' 90' ' ' LEU . 4.9 m0 -76.9 -3.86 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.05 11.36 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -118.62 -79.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.548 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 58.7 m -96.52 158.54 15.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.21 98.65 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.428 ' NE2' ' O ' ' A' ' 78' ' ' VAL . 23.4 t60 -161.13 144.97 13.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.27 89.15 53.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.32 25.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -85.69 101.5 12.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.559 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -85.52 95.6 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.456 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 26.7 m -125.52 178.0 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.04 148.14 17.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 82' ' ' ILE . . . -41.43 -37.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' ALA . 10.1 tttm -39.81 -46.79 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 57.1 t90 -54.73 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 112' ' ' CYS . 21.2 tp -39.51 -58.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 70.6 mt -41.61 -55.21 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.475 ' CB ' HD11 ' A' ' 119' ' ' LEU . 2.0 mm-40 -59.98 -35.68 75.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.511 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 46.9 m -58.71 -52.94 63.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.526 ' CD2' HD21 ' A' ' 62' ' ' LEU . 35.0 m-85 -71.67 -25.75 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.0 t -73.82 -47.45 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 3.7 mmtt -74.52 -20.98 59.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 94.84 -13.34 67.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.554 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 10.3 p90 -137.43 166.39 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.5 mtp -73.66 135.65 43.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.554 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 1.4 mt -109.03 176.73 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.2 m -63.9 145.04 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.427 ' HB3' ' CG1' ' A' ' 104' ' ' VAL . 5.5 mp0 -96.51 -22.12 17.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 33.1 mt-10 -56.81 -43.7 99.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.2 5.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.456 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 88.6 m-85 -139.19 41.71 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 25.8 mm -87.48 141.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -104.78 106.87 17.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 t -116.1 -56.9 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.034 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.31 -70.48 0.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.96 27.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.7 m -154.62 118.82 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.1 t -151.15 -58.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 134.49 35.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.36 169.3 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.29 -171.12 34.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.55 169.08 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -130.65 170.64 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.86 -174.12 19.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.127 . . . . 0.0 111.07 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -155.6 152.31 28.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 0.759 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.01 158.19 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -93.04 156.6 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -164.65 118.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.7 m -98.83 154.82 17.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -176.72 147.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.1 p -72.55 121.05 19.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.59 98.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 168.18 174.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.1 t -50.83 116.74 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -79.98 112.65 17.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp 60.25 151.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 147.72 94.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 65.81 6.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 71.1 p -122.56 156.59 33.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.504 HD11 ' CB ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -54.89 -44.95 74.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -54.88 -18.04 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' ND2' ' OG1' ' A' ' 22' ' ' THR . 31.2 m-20 -131.57 26.22 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -55.48 -46.56 76.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 24.8 mt-10 -58.45 -37.2 74.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -111.26 42.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.86 121.99 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' N ' HD21 ' A' ' 29' ' ' LEU . 33.0 t0 -73.69 89.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 3.8 p -62.17 -16.53 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.25 -8.99 58.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -73.89 -48.22 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 113' ' ' PHE . 70.8 m-85 -46.26 119.96 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ALA . 12.6 mm-40 -92.07 0.4 57.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' GLN . . . -45.22 169.2 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.9 36.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.23 -0.75 29.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -128.73 23.9 5.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ASP . 35.7 tp -40.6 -64.89 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -89.98 54.93 2.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.34 120.02 18.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.83 32.84 70.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.6 m -129.1 105.02 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.544 ' HA ' HG11 ' A' ' 69' ' ' VAL . 29.9 mtm180 -89.41 108.98 19.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.498 ' CG2' HG12 ' A' ' 82' ' ' ILE . 1.7 mp -99.71 160.73 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.631 ' CD2' HD23 ' A' ' 74' ' ' LEU . 40.7 t80 -130.43 123.39 29.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.52 HD23 ' CD1' ' A' ' 59' ' ' LEU . 95.4 mt -84.99 133.02 34.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -147.4 110.22 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.272 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . 122.29 -68.83 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.538 ' CE2' HD11 ' A' ' 59' ' ' LEU . 33.0 m-85 -37.13 134.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.79 84.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.56 -100.05 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' CD ' ' HB3' ' A' ' 27' ' ' GLU . 78.8 mtt180 -97.11 -57.35 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.259 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.413 ' CE ' ' O ' ' A' ' 23' ' ' LEU . 1.5 mttt -41.7 -36.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.472 ' CD1' HD12 ' A' ' 48' ' ' LEU . 24.7 tp -71.01 -70.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -38.27 -35.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 70.4 mmtt -63.86 -64.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.538 HD11 ' CE2' ' A' ' 51' ' ' PHE . 18.2 mt -45.79 -39.57 8.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 23.5 mtp180 -52.7 -34.87 54.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -85.8 -36.46 20.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.517 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -68.25 -67.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.507 ' CG2' ' O ' ' A' ' 69' ' ' VAL . 21.8 mt -43.01 -50.88 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -61.25 -45.47 94.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 t -56.83 -36.32 69.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -84.42 -2.52 89.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.61 -13.52 51.85 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -57.6 171.06 3.45 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.544 HG11 ' HA ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -100.21 167.75 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -137.5 87.58 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -82.82 158.23 22.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.06 -7.64 11.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.48 ' C ' ' CE1' ' A' ' 47' ' ' TYR . 34.2 mt-30 -123.07 149.47 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.631 HD23 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.15 114.74 25.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.507 ' N ' ' ND2' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -138.89 -174.87 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.01 -33.95 44.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.69 -19.13 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.435 HG21 ' ND2' ' A' ' 75' ' ' ASN . 60.2 t -67.9 132.33 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.543 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.5 p -112.99 -9.23 13.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 79' ' ' THR . 35.3 m80 -159.26 143.43 15.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.629 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -125.39 97.56 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.498 HG12 ' CG2' ' A' ' 46' ' ' ILE . 2.9 mm -82.3 102.95 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.472 HG23 ' CG1' ' A' ' 103' ' ' VAL . 19.9 t -87.5 150.81 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -116.2 -31.79 1.8 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.25 -56.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -163.81 163.97 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -119.38 83.71 2.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -93.64 -24.85 17.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' GLN . 3.4 tp10 -74.68 -42.52 58.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.664 ' CD2' ' CZ2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -45.34 -42.78 10.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -49.83 -38.01 33.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' GLU . 2.2 mm-40 -65.44 -43.78 89.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.464 ' CD2' HD11 ' A' ' 74' ' ' LEU . 18.5 t80 -65.23 -26.59 68.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.664 ' CZ2' ' CD2' ' A' ' 90' ' ' LEU . 9.7 m0 -77.17 -13.46 59.94 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -101.59 4.25 40.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -115.4 -75.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.427 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 64.1 m -102.55 158.02 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.68 99.07 10.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -160.76 144.08 13.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.601 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.83 90.23 31.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 166.57 28.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -87.86 101.91 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.472 ' CG1' HG23 ' A' ' 83' ' ' VAL . 29.0 t -87.47 94.59 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.488 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 27.2 m -123.73 177.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 107' ' ' LYS . . . -104.09 149.07 17.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.504 ' CB ' HD11 ' A' ' 23' ' ' LEU . . . -41.36 -31.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -41.66 -47.03 3.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 42.0 t90 -57.78 -63.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -39.74 -53.91 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.3 mt -48.91 -64.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.0 mm-40 -47.69 -40.04 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.23 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 33.6 m -57.66 -48.67 78.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.574 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 31.0 m-85 -72.88 -33.96 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -68.92 -38.45 79.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.2 mmtt -82.55 -25.66 33.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.49 -13.23 65.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.703 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 4.4 p90 -138.6 152.22 47.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 89.1 mtp -61.74 140.75 58.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.703 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -115.89 177.46 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.461 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 44.9 m -64.17 145.6 55.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.479 ' O ' ' CD1' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -95.44 -10.05 30.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.656 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 30.7 mt-10 -65.43 -42.3 56.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.0 3.01 6.0 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 98.7 m-85 -142.73 48.02 1.54 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 30.2 mm -90.73 142.92 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -105.58 107.64 18.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t -112.8 -70.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.409 ' HA3' ' HD3' ' A' ' 129' ' ' PRO . . . 122.13 -105.27 0.97 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.409 ' HD3' ' HA3' ' A' ' 128' ' ' GLY . 18.1 Cg_endo -75.06 177.94 7.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.9 m -128.67 -57.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.6 160.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m 61.86 155.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.03 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.6 p -110.37 135.94 50.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.05 -73.16 1.13 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.79 87.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 p -170.24 166.99 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.16 136.42 6.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 p -98.89 163.05 12.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 58.11 157.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.4 p -179.07 125.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.0 pt -148.48 139.19 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.31 143.8 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 108.265 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -116.26 155.32 28.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -56.58 119.52 6.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.96 100.88 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.56 102.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.9 m 56.76 104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.34 150.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -156.07 154.46 31.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -47.71 147.33 3.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 71.11 5.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 20' ' ' GLU . 3.1 p -102.6 -176.3 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.446 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -78.93 -48.15 15.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.72 1.26 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 20' ' ' GLU . 3.9 t30 -115.04 -7.04 12.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 23' ' ' LEU . 2.0 mt -39.63 -40.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.88 -47.59 74.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ASN . 11.3 m-20 -94.52 34.46 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 26' ' ' LEU . 15.1 tp -102.92 156.14 17.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -118.6 105.45 11.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.495 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -73.8 -22.93 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.45 20.02 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.049 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.86 -43.18 4.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 113' ' ' PHE . 93.4 m-85 -50.3 128.65 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 35.6 tp60 -84.76 -10.33 57.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.481 ' CB ' ' HA2' ' A' ' 116' ' ' GLY . . . -41.35 162.9 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.1 41.75 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.11 -11.38 60.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.32 23.47 13.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.411 HD23 ' CD1' ' A' ' 113' ' ' PHE . 25.7 tp -43.29 -63.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -100.78 44.96 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -46.56 128.48 10.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.61 42.74 20.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 72.7 m -113.31 112.78 24.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.57 ' HG2' ' CE1' ' A' ' 71' ' ' PHE . 9.2 mtm-85 -93.81 105.45 17.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.523 ' CG2' HG12 ' A' ' 82' ' ' ILE . 4.0 mt -108.98 148.92 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CD1' HG13 ' A' ' 81' ' ' VAL . 3.1 t80 -110.9 130.57 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 66.7 mt -90.97 138.19 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' CG ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -148.58 106.12 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 108.289 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 100.9 55.94 0.91 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 44.3 m-85 -156.75 131.16 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.0 p -140.38 -57.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.69 -137.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -64.42 -39.22 93.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -40.51 -44.79 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ASP . 3.4 tp -68.89 -69.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -39.22 -40.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 11.5 mmtt -59.79 -68.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.514 ' CD1' ' CD2' ' A' ' 48' ' ' LEU . 52.2 mt -48.44 -39.28 22.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -56.44 -31.88 64.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' CB ' ' A' ' 65' ' ' SER . 94.6 mtt180 -94.27 -34.08 12.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.495 ' HG ' ' CG2' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -67.64 -61.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 3.5 mt -48.44 -47.76 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -43.26 80.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 13.3 t -50.26 -41.41 50.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -81.79 6.1 67.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.6 -10.05 57.07 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.87 165.69 11.14 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.4 t -118.06 112.33 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -76.56 122.26 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -103.26 111.09 23.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.946 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -69.11 -18.2 63.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -120.83 162.45 19.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -110.56 159.71 17.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER 163.19 -175.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.75 86.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 173.54 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.47 HG12 ' CG2' ' A' ' 81' ' ' VAL . 77.4 t -56.12 126.15 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.578 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 50.6 p -98.82 -17.65 18.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -162.29 143.96 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 47' ' ' TYR . 26.2 t -122.01 103.6 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.523 HG12 ' CG2' ' A' ' 46' ' ' ILE . 1.4 mm -74.28 99.72 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 90.8 t -93.69 134.94 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.72 -55.85 1.6 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.464 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 5.2 m-20 -117.3 -47.74 2.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.464 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 14.7 p90 -163.49 179.09 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.415 ' CG ' ' SG ' ' A' ' 49' ' ' CYS . 7.8 t0 -150.82 115.66 5.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.55 -41.23 11.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.3 tt0 -52.63 -55.9 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.579 HD23 ' CZ2' ' A' ' 94' ' ' TRP . 0.2 OUTLIER -40.7 -62.8 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' LEU . 32.4 mttm -38.32 -42.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.8 mm-40 -71.26 -47.53 56.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LEU . 59.8 t80 -60.11 -20.11 56.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.579 ' CZ2' HD23 ' A' ' 90' ' ' LEU . 6.5 m0 -78.73 -15.76 58.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -116.51 11.81 14.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.01 -75.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.1 m -104.9 157.94 16.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.78 97.14 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.436 ' NE2' ' O ' ' A' ' 78' ' ' VAL . 63.7 t60 -172.4 151.13 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.87 96.17 38.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.15 26.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.587 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 88.3 m-70 -62.85 100.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.577 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -88.67 113.78 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.499 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 27.4 m -143.59 179.42 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -105.76 147.08 16.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.558 1.161 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.453 ' CB ' HD22 ' A' ' 23' ' ' LEU . . . -41.31 -34.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -43.28 -46.86 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.58 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 38.1 t90 -53.88 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.48 HD22 ' CD2' ' A' ' 59' ' ' LEU . 16.6 tp -40.23 -55.11 2.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.6 mt -45.96 -52.27 11.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.4 mm-40 -62.14 -34.13 75.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.56 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 56.1 m -59.4 -57.64 12.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.518 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 49.5 m-85 -68.56 -35.09 76.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 t -59.84 -45.96 90.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 1.6 mmtt -79.34 -25.34 42.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.481 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 100.78 -15.79 58.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.609 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 14.0 p90 -132.32 159.49 39.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 92.3 mtp -71.03 130.16 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 2.4 mt -102.36 176.08 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 19.7 m -64.42 144.06 57.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.58 ' OE2' ' CZ2' ' A' ' 108' ' ' TRP . 2.3 mp0 -95.46 -20.49 19.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.617 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 18.1 mt-10 -57.09 -45.01 99.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.236 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.01 2.77 6.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 104' ' ' VAL . 75.3 m-85 -138.76 38.92 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.488 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 16.1 mm -81.35 139.57 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.573 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 8.0 t60 -102.97 106.69 17.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.5 m -107.6 167.31 10.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -99.7 -141.15 11.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 126.88 10.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.7 t -133.73 126.38 30.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 62.8 p -123.21 -63.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.468 1.105 . . . . 0.0 111.061 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -175.06 102.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.97 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.96 151.97 16.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.031 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.19 126.42 7.6 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -118.57 116.44 26.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p -166.36 150.7 7.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.51 -141.84 7.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -126.01 153.92 43.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -40.84 146.21 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.24 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -94.55 109.61 21.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.2 mm -122.88 72.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.65 159.64 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.334 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -68.91 152.26 45.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.37 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.5 p -106.49 170.46 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.71 174.63 10.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -123.11 113.68 19.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.6 130.32 2.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.82 122.67 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 25' ' ' ASN . 21.1 tp -134.88 136.36 42.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -55.89 140.7 68.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 18.3 Cg_endo -75.01 63.64 6.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.2 p -104.72 172.97 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -77.58 -58.58 3.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.84 -22.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 18.8 m-20 -125.77 39.88 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 3.6 tp -85.31 -26.65 26.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.39 -27.09 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.442 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 4.5 m120 -119.08 22.21 11.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.595 HD21 ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -76.79 115.09 16.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 62.7 t0 -66.24 82.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 2.5 p -53.85 -32.24 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -6.91 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -76.01 -46.1 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 65.7 m-85 -52.34 123.23 10.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -92.79 5.34 51.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.46 168.32 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 166.01 30.09 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -82.08 4.31 23.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -133.97 21.03 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.444 ' CD1' ' O ' ' A' ' 116' ' ' GLY . 51.8 tp -40.26 -66.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -93.87 48.95 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.95 129.02 40.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.47 41.31 48.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.7 m -123.65 104.34 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -86.63 117.4 25.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.5 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.3 mt -115.25 157.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.596 ' CE2' HD23 ' A' ' 74' ' ' LEU . 72.6 t80 -115.12 129.0 56.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.524 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 95.2 mt -93.03 119.18 32.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.8 t -132.02 120.67 22.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.93 36.46 7.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.588 ' CE2' HD12 ' A' ' 59' ' ' LEU . 20.9 m-85 -138.46 127.75 24.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 p -144.02 -48.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.37 -136.81 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -35.88 81.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.547 ' HB3' ' CD1' ' A' ' 51' ' ' PHE . 2.6 mttt -44.56 -50.44 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 48' ' ' LEU . 3.5 tp -63.91 -68.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.7 t70 -40.2 -42.14 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' ARG . 67.3 mmtt -59.55 -70.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.588 HD12 ' CE2' ' A' ' 51' ' ' PHE . 21.1 mt -44.91 -47.92 11.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HA ' ' CD ' ' A' ' 70' ' ' ARG . 47.0 mtp180 -46.31 -28.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' LYS . 77.9 mtt180 -89.2 -30.4 18.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.532 HD23 ' CD2' ' A' ' 113' ' ' PHE . 1.0 OUTLIER -76.04 -68.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 5.3 mt -42.93 -36.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -78.06 -45.81 22.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 14.0 t -57.19 -38.56 73.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -79.89 -2.49 88.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.93 -10.74 59.47 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.64 164.7 34.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 t -116.96 117.79 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -89.48 127.0 35.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE2' ' HB2' ' A' ' 77' ' ' ASP . 1.9 m-85 -97.73 125.38 42.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -75.18 -20.91 59.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -125.45 141.68 51.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.596 HD23 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -71.4 128.32 35.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -153.23 179.45 8.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' CD ' ' CB ' ' A' ' 97' ' ' SER . 23.4 mt-10 -81.01 7.55 10.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 14.4 m-20 -89.36 -45.6 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -62.45 140.04 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 77.3 p -106.34 -18.21 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.511 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.3 m80 -140.56 146.43 38.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.438 ' CG2' HD11 ' A' ' 90' ' ' LEU . 25.1 t -120.35 116.62 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.5 HG12 ' CG2' ' A' ' 46' ' ' ILE . 2.5 mm -95.69 105.39 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 87' ' ' ASP . 23.3 t -83.76 133.41 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.75 -24.82 6.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.557 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 7.9 t0 -144.01 -48.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 12.0 p90 -164.16 140.29 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 4.7 p-10 -93.36 80.31 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 91' ' ' LYS . 6.1 m-20 -93.27 -53.29 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -38.35 -46.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.555 HD21 ' CZ2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -47.11 -50.74 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' ASP . 80.6 mttt -41.4 -37.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -44.6 60.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LEU . 42.6 t80 -67.36 -17.4 64.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.555 ' CZ2' HD21 ' A' ' 90' ' ' LEU . 5.2 m0 -83.2 -21.85 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.53 5.73 50.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -113.47 -87.74 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' ' CD ' ' A' ' 76' ' ' GLU . 58.0 m -95.36 158.65 15.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.29 98.36 10.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -162.08 139.21 8.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 95.09 47.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.1 27.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -82.76 102.18 11.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.554 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.455 ' CG1' ' CG2' ' A' ' 83' ' ' VAL . 35.8 t -87.02 107.92 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 121' ' ' GLU . 35.4 m -137.87 178.65 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.67 145.37 16.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.478 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -42.22 -33.48 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' N ' HD22 ' A' ' 23' ' ' LEU . 10.5 tttt -43.37 -46.47 6.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.531 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 30.2 t90 -53.65 -64.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.029 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 41' ' ' LEU . 17.4 tp -45.54 -55.15 6.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -42.64 -60.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.3 mm-40 -53.18 -44.49 67.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 63.6 m -51.61 -54.94 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.547 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 28.1 m-85 -67.86 -6.03 19.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.509 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.86 -41.95 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -87.04 -25.8 24.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.444 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . 98.11 -9.06 63.26 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.652 ' CZ ' ' CD2' ' A' ' 119' ' ' LEU . 4.2 p90 -132.82 142.49 49.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 73.8 mtp -57.85 142.73 44.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.652 ' CD2' ' CZ ' ' A' ' 117' ' ' TYR . 0.3 OUTLIER -114.88 176.36 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.45 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 71.1 m -63.62 142.58 58.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.453 ' HB3' ' CG1' ' A' ' 104' ' ' VAL . 3.0 mt-10 -96.08 -11.92 25.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.5 mt-10 -65.94 -43.73 59.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -75.03 3.01 6.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.531 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 74.4 m-85 -135.27 35.55 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 15.9 mm -81.04 143.05 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -112.23 107.68 16.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.8 t -90.19 166.66 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -113.32 -172.03 18.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.2 m 49.91 98.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.1 t -73.28 125.67 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -150.18 -63.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p -77.82 158.62 29.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.051 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.03 64.45 0.27 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.37 108.52 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -51.26 165.83 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.73 104.49 0.48 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.99 137.47 51.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.72 105.92 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.16 95.05 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 3.2 tp -171.96 109.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.3 p -84.8 127.86 34.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -117.63 138.28 52.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.97 136.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 42.95 86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -136.33 115.51 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.03 158.27 19.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.53 143.63 37.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mt -148.11 155.81 41.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.67 148.95 0.28 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 81.56 2.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 10.4 p -127.14 158.88 35.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.602 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -51.25 -63.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.3 -51.45 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.433 ' ND2' ' OG1' ' A' ' 22' ' ' THR . 1.6 m-20 -93.38 60.96 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 tp -97.21 -31.8 12.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 64.1 mt-10 -75.37 -42.79 53.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -78.37 -14.28 59.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' A' ' 34' ' ' PHE . 1.9 tp -57.84 160.33 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 32' ' ' SER . 34.8 t0 -120.29 89.98 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 5.4 p -53.65 -22.7 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.421 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -90.34 20.51 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.06 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -106.93 -43.33 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 113' ' ' PHE . 93.4 m-85 -49.64 128.36 17.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -87.88 -5.92 58.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -43.62 165.38 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.33 41.79 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -69.24 -7.43 36.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -117.75 19.49 13.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.576 HD23 ' CD1' ' A' ' 113' ' ' PHE . 30.0 tp -39.91 -64.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD11 ' CZ ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -98.68 48.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.77 129.02 35.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.9 40.64 27.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.2 m -119.49 105.5 11.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.7 mtm-85 -86.67 117.95 25.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.6 mt -118.35 150.99 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.676 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 79.0 t80 -112.48 132.9 54.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.544 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 97.5 mt -96.64 114.76 26.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 3.0 t -121.42 116.69 25.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.409 ' CA ' ' OD2' ' A' ' 85' ' ' ASP . . . 91.62 45.05 4.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.461 ' CE1' HD11 ' A' ' 59' ' ' LEU . 76.1 m-85 -140.58 142.07 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -150.56 -72.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.24 -161.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -39.03 -37.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HG2' ' CG ' ' A' ' 27' ' ' GLU . 3.7 mttt -44.56 -50.08 9.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ASP . 4.3 tp -63.03 -70.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.7 t70 -38.69 -52.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 29.5 mmtt -42.81 -61.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.544 ' CD1' ' CD2' ' A' ' 48' ' ' LEU . 38.9 mt -56.82 -50.02 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -45.83 -25.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -93.58 -34.81 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD23 ' CD2' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -70.35 -65.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 3.6 mt -44.2 -35.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -78.79 -45.05 21.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -48.45 69.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -71.99 -10.4 72.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.67 -20.62 48.68 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -50.52 160.15 1.46 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 t -112.92 109.96 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 6.0 ttp180 -78.0 119.49 21.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.695 ' CE2' ' CB ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER -96.74 116.51 29.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.58 -27.21 67.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -127.33 136.23 51.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.676 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -74.57 144.1 44.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 2.7 p-10 176.0 -174.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' N ' HD21 ' A' ' 75' ' ' ASN . 10.0 mt-10 -65.53 72.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.695 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 1.6 m-20 -165.83 -48.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.525 HG23 ' CB ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -65.31 104.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 45' ' ' ARG . 71.3 p -74.58 -14.42 60.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 6.8 m80 -145.5 140.55 27.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.575 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.481 ' CG1' ' CD2' ' A' ' 90' ' ' LEU . 79.6 t -112.49 127.27 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.47 HG12 ' CG2' ' A' ' 46' ' ' ILE . 4.7 mm -107.88 103.01 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.516 HG11 ' CD2' ' A' ' 126' ' ' HIS . 68.9 t -93.41 119.54 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.91 -34.28 6.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' OD2' ' CA ' ' A' ' 50' ' ' GLY . 5.7 m-20 -125.65 -56.36 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -146.92 170.97 15.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 4.6 p30 -120.35 49.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.56 -64.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -41.39 -51.36 3.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.481 ' CD2' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -38.97 -47.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -55.79 -53.37 57.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -54.77 -49.88 69.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 75' ' ' ASN . 35.2 t80 -56.11 -36.94 68.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -70.29 -12.97 61.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -106.38 7.56 31.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -116.75 -73.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -107.09 158.21 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.1 98.44 10.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -159.14 151.11 20.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.61 89.41 52.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -172.82 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -104.72 104.06 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.487 ' CG1' HG22 ' A' ' 83' ' ' VAL . 46.0 t -84.93 99.56 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 121' ' ' GLU . 34.1 m -132.25 178.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.68 148.1 17.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.602 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -42.1 -36.88 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -40.22 -48.49 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 44.8 t90 -55.2 -62.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.01 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.444 ' CD1' HG13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -39.67 -52.28 2.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.05 -62.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 119' ' ' LEU . 2.1 mm-40 -47.53 -40.62 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 32.9 m -52.52 -49.57 64.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.576 ' CD1' HD23 ' A' ' 40' ' ' LEU . 56.9 m-85 -72.71 -47.93 43.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -55.28 -38.63 68.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.041 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 5.2 mmtt -80.31 -24.98 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.52 -10.85 73.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.578 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 9.2 p90 -140.88 160.46 40.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 0.765 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 82.5 mtp -68.56 132.49 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.578 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 1.6 mt -106.83 177.44 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.44 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 66.2 m -67.87 145.34 54.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.567 ' OE2' ' CZ2' ' A' ' 108' ' ' TRP . 2.0 mp0 -95.89 -24.14 16.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.614 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.7 mt-10 -54.41 -44.84 99.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.98 2.31 6.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.419 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 69.1 m-85 -136.35 37.52 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 22.3 mm -82.32 151.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.516 ' CD2' HG11 ' A' ' 83' ' ' VAL . 25.2 t60 -111.87 106.67 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.591 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.3 p -114.25 177.78 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -145.57 168.36 27.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 96.8 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -97.61 -68.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.4 -57.61 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -163.24 169.33 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.66 168.48 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.87 177.19 45.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -158.14 151.66 23.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -159.43 165.79 32.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.15 -155.73 20.14 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.68 161.49 11.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.75 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.87 171.44 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.01 148.1 23.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mt -135.23 100.97 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.9 p -172.21 147.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 108.323 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.09 93.45 8.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.3 p -175.87 161.18 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.979 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.39 96.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.1 t30 171.22 -53.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.85 -33.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.9 128.18 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 mp -99.95 -169.61 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.9 153.17 95.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.452 ' HB3' ' CD1' ' A' ' 29' ' ' LEU . 18.3 Cg_endo -74.98 69.02 5.65 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.458 1.768 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' ASN . 77.9 p -120.74 151.91 38.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 107' ' ' LYS . 0.1 OUTLIER -48.17 -53.09 18.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.8 -19.56 4.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 3.0 m-20 -125.22 52.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -81.08 -33.99 32.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' CB ' ' HD2' ' A' ' 54' ' ' ARG . 16.3 mt-10 -75.52 -32.74 60.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -107.14 32.6 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -105.79 149.24 26.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 15.8 t0 -111.29 89.47 3.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 1.9 p -53.1 -33.55 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -6.62 30.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -76.33 -47.17 24.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 113' ' ' PHE . 66.6 m-85 -46.79 123.96 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -86.14 0.47 53.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' A' ' 113' ' ' PHE . . . -42.26 162.91 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.71 32.78 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.94 7.58 15.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.45 22.6 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 116' ' ' GLY . 52.4 tp -44.06 -62.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.436 HD12 ' CZ ' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -101.72 44.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.8 129.68 14.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.79 42.81 29.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.58 1.175 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 41' ' ' LEU . 61.9 m -116.13 107.28 14.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 4.3 mtt-85 -88.32 108.78 19.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.2 mt -112.47 157.84 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' ' 74' ' ' LEU . 4.8 t80 -119.62 123.83 44.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.471 HD23 ' CG ' ' A' ' 59' ' ' LEU . 96.1 mt -92.58 133.67 35.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.8 131.75 9.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.41 -5.29 38.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.75 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 20.5 m-85 -108.58 -176.71 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 51' ' ' PHE . 2.8 p 155.45 115.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.36 -93.4 0.83 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HD2' ' CB ' ' A' ' 27' ' ' GLU . 4.2 mtm180 -98.12 -66.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.22 -40.96 3.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.621 ' HB2' ' CB ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -69.15 -70.99 0.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.536 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 1.2 m-20 -38.9 -47.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.473 ' CB ' HD22 ' A' ' 26' ' ' LEU . 9.5 mmtt -40.85 -63.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.75 ' CD2' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -51.67 -55.21 20.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' CG ' ' HD3' ' A' ' 70' ' ' ARG . 7.3 mtp180 -39.32 -39.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -77.45 -42.72 34.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.574 ' O ' ' CZ ' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -59.19 -65.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' LEU . 9.3 mt -38.93 -56.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -58.6 -42.95 89.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' LEU . 8.2 t -60.19 -15.39 23.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.09 1.88 28.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.18 -14.09 51.51 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.84 158.15 5.19 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.44 116.26 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HD3' ' CG ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -80.47 108.21 13.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -84.73 120.16 26.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -74.39 -9.62 58.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 2.5 mt-30 -134.91 174.3 10.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -116.46 162.95 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 5.5 p30 155.78 -175.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.86 91.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 169.06 -33.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 81' ' ' VAL . 55.3 t -57.35 114.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.539 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 43.8 p -83.7 -20.36 33.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.42 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 79' ' ' THR . 8.0 m80 -159.91 163.46 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.582 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.479 HG23 ' CG1' ' A' ' 78' ' ' VAL . 39.8 t -139.51 100.7 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.471 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 1.4 mm -76.19 103.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.439 HG11 ' CD2' ' A' ' 126' ' ' HIS . 76.6 t -95.85 135.59 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.531 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -102.76 -13.51 29.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -160.47 -44.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 6.3 p90 -172.48 174.75 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -152.02 99.72 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.1 m-20 -72.27 -49.06 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.3 tm-20 -37.66 -50.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -37.76 -60.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -42.81 -54.09 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -57.53 -49.34 76.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 97' ' ' SER . 22.2 t80 -60.55 -24.78 65.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 11.7 m0 -87.93 -10.64 49.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -105.67 12.37 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -137.46 -60.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.573 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 69.3 m -99.42 157.59 16.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -108.41 99.9 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -168.34 153.96 6.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.581 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -125.46 91.18 49.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 159.74 41.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.069 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -82.14 102.21 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.1 t -90.25 95.25 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.449 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 27.3 m -121.4 178.35 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.19 148.86 17.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.449 ' HB2' ' CD2' ' A' ' 59' ' ' LEU . . . -42.74 -36.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.442 ' N ' HD23 ' A' ' 23' ' ' LEU . 7.7 tttt -39.01 -47.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.516 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 45.0 t90 -58.81 -61.84 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.023 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -41.79 -54.51 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.7 mt -48.69 -65.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.2 mm-40 -43.49 -48.5 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.504 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 71.1 m -50.9 -58.14 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 108.284 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CZ ' ' O ' ' A' ' 62' ' ' LEU . 34.7 m-85 -65.93 -7.48 16.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.489 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -89.29 -41.17 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -89.44 -25.88 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . 97.88 -11.95 64.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.66 ' CZ ' ' CD2' ' A' ' 119' ' ' LEU . 6.0 p90 -128.77 144.72 51.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.2 mtp -60.27 140.34 57.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.66 ' CD2' ' CZ ' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -113.31 172.15 7.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.476 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 18.5 m -56.99 141.55 45.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.512 ' OE1' ' CG ' ' A' ' 108' ' ' TRP . 5.2 mm-40 -95.81 -10.58 28.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 30.3 mt-10 -67.85 -42.89 35.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.1 Cg_endo -75.07 3.63 5.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.536 1.809 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.516 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 96.2 m-85 -139.21 40.95 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 29.2 mm -86.33 148.92 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.439 ' CD2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -110.54 106.73 16.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.573 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 p -105.99 165.14 11.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -109.98 -157.45 16.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.1 94.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.14 101.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -96.53 100.86 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.73 155.95 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.53 -170.15 40.22 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.83 -59.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 0.787 . . . . 0.0 109.983 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m 63.74 137.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.948 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.78 79.81 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 m -146.34 165.53 29.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -172.84 157.42 3.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.37 157.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.6 tt -132.93 172.24 16.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.9 163.38 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 108.343 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -81.73 173.11 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.72 143.94 50.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 173.09 155.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 63.45 168.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -110.43 130.2 55.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt 59.28 99.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.13 -168.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 152.44 82.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 59.28 5.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 p -111.06 153.42 25.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -52.77 33.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.93 -17.93 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -124.57 52.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -82.66 -42.23 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.88 -37.86 82.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -95.95 43.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 30' ' ' ASP . 16.0 tp -105.95 160.86 14.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' N ' ' HG ' ' A' ' 29' ' ' LEU . 40.1 t0 -126.92 80.71 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.515 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 11.2 p -54.73 -22.57 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.03 2.31 24.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.34 -42.9 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 39.9 m-85 -49.83 128.41 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 13.9 tt0 -96.09 -2.6 46.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 35' ' ' GLN . . . -43.79 167.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.74 32.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.94 3.63 33.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.07 18.58 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 tp -41.03 -61.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.25 42.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 2.1 t0 -51.59 131.55 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 46.29 42.92 13.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 42' ' ' ASP . 75.2 m -120.37 106.87 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 3.1 mtt-85 -88.88 110.08 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -114.28 147.82 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.517 ' CE2' ' HB2' ' A' ' 74' ' ' LEU . 5.0 t80 -106.52 117.27 33.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 63' ' ' ILE . 42.2 mt -83.42 115.57 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.499 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 1.8 p -120.8 165.23 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 38.18 54.69 2.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.518 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 9.2 m-85 -144.66 129.67 18.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -157.77 148.09 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.87 -132.83 11.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -67.41 -48.71 66.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' CB ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -41.68 -54.07 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASP . 21.0 tp -67.28 -56.73 8.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -39.69 -38.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ARG . 16.2 mmtt -66.07 -72.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.518 ' CD2' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -39.04 -38.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 16.4 mtp-105 -59.09 -51.74 68.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 65' ' ' SER . 59.3 mtt180 -68.08 -28.09 67.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 113' ' ' PHE . 2.5 mp -71.74 -71.28 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.448 ' CD1' HD12 ' A' ' 48' ' ' LEU . 21.3 mt -37.79 -55.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -45.1 92.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 11.7 t -60.51 -29.53 69.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -91.35 -7.58 65.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.563 1.164 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.73 63.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.36 160.48 3.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.9 t -110.41 113.58 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.16 102.47 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -75.71 125.12 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -77.21 -14.48 59.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.4 170.98 13.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -109.73 164.18 12.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER 165.81 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -67.84 -16.47 64.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -45.47 67.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.1 t -43.83 142.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.533 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.9 p -113.84 -17.56 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 79' ' ' THR . 11.0 m80 -159.44 157.44 30.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 90' ' ' LEU . 76.6 t -135.68 96.97 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.432 ' CG2' ' HA ' ' A' ' 106' ' ' ALA . 1.4 mm -74.99 110.0 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.531 HG23 ' CG1' ' A' ' 103' ' ' VAL . 46.5 t -99.5 139.83 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -115.67 -21.25 5.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.521 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 20.0 m-20 -125.54 -53.55 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.521 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 13.4 p90 179.83 -45.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 86' ' ' TYR . 17.6 t0 81.91 108.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -94.29 -34.19 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.5 tp10 -57.91 -45.85 85.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 81' ' ' VAL . 1.2 tt -40.5 -50.59 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -48.13 -46.63 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.4 mm-40 -57.96 -50.34 73.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.458 ' CD2' HD21 ' A' ' 74' ' ' LEU . 9.0 t80 -55.07 -37.81 67.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -63.59 -22.47 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.57 11.83 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -115.2 -86.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.7 m -91.34 157.71 16.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.05 98.96 10.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -163.08 157.35 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.19 90.66 49.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.61 40.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -81.34 102.31 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.531 ' CG1' HG23 ' A' ' 83' ' ' VAL . 46.3 t -91.78 99.11 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.464 ' CB ' ' O ' ' A' ' 124' ' ' TYR . 27.1 m -129.68 175.26 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.91 149.07 19.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 107' ' ' LYS . . . -42.13 -36.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' ALA . 4.4 tttt -37.41 -50.42 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.62 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 53.3 t90 -56.54 -64.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 112' ' ' CYS . 0.5 OUTLIER -40.01 -48.94 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 66.9 mt -52.68 -62.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.9 mm-40 -48.67 -48.39 39.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.62 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 80.2 m -40.67 -57.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 108.263 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.577 ' CD2' HD23 ' A' ' 62' ' ' LEU . 53.8 m-85 -65.53 -58.76 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.56 -41.43 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.54 ' HG3' HD21 ' A' ' 119' ' ' LEU . 4.7 mmmt -79.04 -24.53 43.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 113' ' ' PHE . . . 90.13 -16.02 58.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.578 ' CE1' ' HG ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -132.81 162.94 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.789 . . . . 0.0 110.949 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 75.9 mtp -76.78 145.58 38.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.655 ' CD1' ' N ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -116.51 -179.79 3.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.5 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.9 m -68.3 144.62 54.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.46 ' O ' HG12 ' A' ' 125' ' ' ILE . 2.2 mt-10 -94.7 -9.05 36.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.622 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 13.3 mt-10 -72.82 -44.45 8.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.93 0.29 9.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.551 1.816 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.486 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 61.1 m-85 -133.42 34.44 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 13.9 mm -75.98 153.29 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.523 ' CD2' ' HB ' ' A' ' 83' ' ' VAL . 2.3 t-80 -111.51 106.26 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.29 153.76 38.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.403 ' HA2' ' HD3' ' A' ' 129' ' ' PRO . . . -94.27 141.32 15.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.403 ' HD3' ' HA2' ' A' ' 128' ' ' GLY . 18.3 Cg_endo -75.01 156.56 42.95 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.4 p 173.71 126.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.01 115.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 174.99 125.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -139.02 175.62 9.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.35 178.37 26.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 p -169.76 166.72 9.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.47 169.84 23.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.27 -150.14 5.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.436 1.085 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.91 159.53 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.25 153.56 51.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.62 119.05 37.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.028 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 pt -128.19 140.27 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.7 m 63.02 153.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -129.08 96.77 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.0 p -144.03 128.79 18.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.43 114.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 t30 175.79 -53.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.19 179.69 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.54 126.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.11 -166.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.54 151.87 91.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HB2' ' CB ' ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.05 63.75 6.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.2 p -114.63 163.15 15.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 HD22 ' CB ' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -60.07 -59.86 4.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -47.23 -22.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 23' ' ' LEU . 4.7 m-20 -119.67 59.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' HB2' ' CE ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -92.22 -37.22 12.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -68.78 -36.68 78.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.48 -44.02 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.5 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -44.96 145.03 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -110.31 127.92 55.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 4.3 p -80.62 -32.32 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.12 4.77 18.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.97 -45.91 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CE2' HD21 ' A' ' 62' ' ' LEU . 84.9 m-85 -47.23 135.79 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.172 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -97.32 6.14 48.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 113' ' ' PHE . . . -55.17 169.64 0.43 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.34 42.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -8.4 53.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -118.81 20.49 12.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 113' ' ' PHE . 48.5 tp -39.04 -65.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -92.53 54.39 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.25 124.16 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.31 37.9 75.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.09 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.8 m -124.75 104.63 8.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.453 ' HB3' ' HA ' ' A' ' 78' ' ' VAL . 6.7 mtm-85 -84.46 123.0 29.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mt -122.0 144.93 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD2' HD21 ' A' ' 74' ' ' LEU . 56.9 t80 -109.59 118.96 37.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD23 ' CG ' ' A' ' 59' ' ' LEU . 57.0 mt -84.17 132.5 34.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.96 153.95 48.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.58 55.11 9.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.525 ' CE1' ' HA3' ' A' ' 84' ' ' GLY . 13.1 m-85 -142.96 131.84 22.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.86 165.18 36.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.88 -122.66 13.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -81.19 -47.07 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' CE ' ' HB2' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -40.79 -50.54 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' ASP . 5.9 tp -66.77 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -39.43 -47.72 1.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 50.2 mmtt -53.49 -66.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CG ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -44.42 -57.86 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' LEU . 4.4 mtt180 -38.99 -52.31 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -65.73 -42.11 91.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.582 HD21 ' CE2' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -57.36 -70.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' LEU . 11.4 mt -38.11 -55.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -57.65 -45.71 85.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' LEU . 39.8 t -57.18 -29.34 63.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.56 -15.12 60.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.91 -15.25 62.91 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.53 164.58 8.54 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.3 t -110.25 116.85 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 70' ' ' ARG . 4.7 ttp-105 -84.14 109.61 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CZ ' ' HB2' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -86.11 108.94 18.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.73 -20.45 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -123.94 151.97 43.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.9 125.35 31.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.577 ' C ' ' CE1' ' A' ' 93' ' ' PHE . 6.0 m120 -148.8 -174.07 4.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' CG ' ' CB ' ' A' ' 97' ' ' SER . 13.3 mt-10 -85.15 12.34 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.635 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -94.36 -50.08 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 80' ' ' HIS . 1.1 p -55.68 136.12 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.472 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 82.6 p -105.4 -15.58 14.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.6 m80 -141.25 147.15 37.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.639 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' CG1' HD12 ' A' ' 90' ' ' LEU . 74.1 t -127.49 105.91 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 104' ' ' VAL . 1.1 mm -82.72 112.78 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 87' ' ' ASP . 39.0 t -96.75 126.07 49.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.525 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -97.68 -36.19 4.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -133.04 -48.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -164.91 149.52 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 20.0 p-10 -106.6 91.92 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' LYS . 18.0 m-20 -92.02 -56.72 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.509 ' CB ' ' OH ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -38.81 -54.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.558 HD21 ' CZ2' ' A' ' 94' ' ' TRP . 0.2 OUTLIER -38.46 -43.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.517 ' CG ' ' N ' ' A' ' 92' ' ' GLN . 3.2 pttt -51.7 -53.05 43.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.517 ' N ' ' CG ' ' A' ' 91' ' ' LYS . 8.5 mt-30 -57.68 -41.72 82.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.577 ' CE1' ' C ' ' A' ' 75' ' ' ASN . 57.8 t80 -68.34 -27.24 66.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.558 ' CZ2' HD21 ' A' ' 90' ' ' LEU . 3.4 m0 -72.0 -24.46 61.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 107.958 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.34 1.96 54.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -107.08 -80.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.44 ' CB ' ' CG ' ' A' ' 76' ' ' GLU . 58.8 m -102.18 158.12 16.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.61 98.37 10.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -159.46 145.4 16.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.578 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.34 89.81 47.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 161.26 38.89 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -75.47 108.53 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.459 ' CG2' HD13 ' A' ' 90' ' ' LEU . 92.1 t -93.68 96.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 121' ' ' GLU . 16.3 m -128.78 178.58 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 107' ' ' LYS . . . -103.18 153.88 18.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.446 1.091 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 110' ' ' LEU . . . -47.41 -22.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.636 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 14.9 tttt -60.54 -14.28 18.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.587 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 8.2 t90 -99.84 -3.74 31.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 107.998 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' A' ' 113' ' ' PHE . 9.4 tp -92.17 -47.49 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.636 ' CD2' ' HA ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -58.85 -56.24 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.5 mm-40 -47.68 -38.86 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 108' ' ' TRP . 67.0 m -62.16 -55.71 26.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 108.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.569 ' CD1' HD22 ' A' ' 40' ' ' LEU . 29.4 m-85 -70.12 -6.92 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.9 t -97.33 -45.77 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 1.2 mmtt -74.08 -23.07 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.99 -13.07 63.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.412 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 2.8 p90 -141.62 165.98 25.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.2 mtp -69.01 147.6 51.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.488 HD11 ' CB ' ' A' ' 111' ' ' GLU . 1.7 mt -117.91 177.6 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.485 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.8 m -66.93 143.41 56.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -95.75 -9.19 32.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.621 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 45.3 mt-10 -71.97 -43.01 10.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.04 3.19 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.587 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 74.7 m-85 -138.82 39.44 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 21.5 mm -83.16 148.59 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -114.56 106.82 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.2 p -109.1 171.75 7.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -147.17 -157.82 7.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 97.42 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.448 1.762 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.63 123.39 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.59 139.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -95.77 121.73 37.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 0.742 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.94 144.03 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.59 108.96 1.67 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 p -178.24 98.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 0.724 . . . . 0.0 110.042 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.48 -59.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.66 -133.22 6.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -147.13 157.79 43.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -167.2 135.95 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -58.43 147.24 32.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 tp -58.86 126.23 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.55 125.66 34.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.341 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -80.11 141.61 35.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.7 t -125.78 119.49 28.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.71 119.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -83.21 94.56 7.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 176.23 154.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -40.99 143.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mt -155.09 158.61 39.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 152.72 0.54 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 69.69 5.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -115.78 151.21 35.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.48 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -45.84 -65.73 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 11.4 mt-10 -37.61 -66.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -80.9 62.25 4.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 13.4 tp -97.83 -26.27 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -75.34 -50.73 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -68.67 -22.88 64.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . 1.9 tp -55.22 138.41 45.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -106.27 101.4 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 10.7 p -56.62 -24.1 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.37 4.68 14.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.96 -42.93 9.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.469 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 53.5 m-85 -49.25 130.86 19.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 8.2 tt0 -94.9 -5.13 45.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' CB ' ' HA ' ' A' ' 113' ' ' PHE . . . -43.46 166.5 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 162.5 36.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.67 4.62 21.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -131.35 16.91 4.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' ASP . 54.9 tp -39.54 -70.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -85.73 48.76 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.45 127.15 29.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.17 39.93 58.82 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.4 m -123.45 104.32 9.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -87.32 121.51 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.5 ' CG2' HG12 ' A' ' 82' ' ' ILE . 1.4 mp -120.49 157.52 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.576 ' CG ' HD21 ' A' ' 74' ' ' LEU . 89.0 t80 -115.92 116.1 27.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD23 ' CG ' ' A' ' 59' ' ' LEU . 62.6 mt -83.27 119.03 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.468 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.9 t -133.54 130.08 37.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.25 52.86 5.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 35.2 m-85 -145.97 136.56 24.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -165.45 147.83 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.998 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.08 -117.23 4.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.25 -52.51 6.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -41.47 -55.15 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' ASP . 8.5 tp -59.24 -61.97 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -40.31 -43.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' ARG . 69.0 mmtt -58.37 -73.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.578 ' CD2' ' CZ ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -39.86 -42.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 23.3 mtt-85 -55.55 -50.45 69.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' LYS . 78.1 mtt180 -69.81 -40.58 75.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.528 HD21 ' CD2' ' A' ' 113' ' ' PHE . 1.8 mp -56.84 -66.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 70' ' ' ARG . 16.8 mt -40.1 -55.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.31 -40.89 75.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.6 t -65.99 -16.66 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -104.45 -10.36 33.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.21 -0.94 87.57 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.65 166.38 53.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 t -121.07 120.18 61.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -88.9 128.34 35.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 77' ' ' ASP . 1.4 m-85 -99.62 117.03 33.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -69.53 -19.77 63.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -123.44 143.69 49.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.89 127.62 33.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.547 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -156.18 -174.22 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -83.0 9.27 10.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 1.1 m-20 -89.89 -48.21 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.62 ' CG2' ' O ' ' A' ' 80' ' ' HIS . 1.8 p -63.74 148.06 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.469 ' OG1' ' ND1' ' A' ' 80' ' ' HIS . 80.6 p -110.08 -26.94 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.62 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -127.51 156.48 42.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.569 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.477 ' CG1' HD13 ' A' ' 90' ' ' LEU . 67.2 t -136.96 97.54 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.5 HG12 ' CG2' ' A' ' 46' ' ' ILE . 1.6 mm -77.41 102.38 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG22 ' CG1' ' A' ' 103' ' ' VAL . 92.6 t -88.09 106.9 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -98.72 -12.42 43.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 86' ' ' TYR . 1.1 m-20 -173.63 78.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 85' ' ' ASP . 43.8 m-85 59.28 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.466 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 13.0 p-10 -116.0 42.65 2.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ASP . 4.6 m-20 -39.78 -30.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' GLN . 0.1 OUTLIER -60.19 -55.2 36.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.593 ' CD2' ' CE2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -39.97 -53.74 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.02 -41.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.6 mm100 -64.08 -47.68 79.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 17.7 t80 -61.53 -19.64 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.593 ' CE2' ' CD2' ' A' ' 90' ' ' LEU . 12.2 m0 -81.56 -22.81 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 107.995 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -101.52 5.9 42.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -108.62 -76.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.6 m -109.26 158.07 18.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.52 97.34 11.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -168.71 141.64 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.589 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.69 98.28 49.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.26 37.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.497 ' CD2' ' OE2' ' A' ' 121' ' ' GLU . 24.0 m-70 -74.9 108.43 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.638 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.471 ' CG1' HG22 ' A' ' 83' ' ' VAL . 26.8 t -94.78 110.07 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 33.6 m -139.31 178.17 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.42 149.65 17.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.48 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -42.41 -35.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 106' ' ' ALA . 3.1 tttt -39.19 -50.23 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.616 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 41.8 t90 -58.27 -61.81 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 112' ' ' CYS . 0.3 OUTLIER -40.3 -44.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.36 -63.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.43 -48.25 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.616 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 96.6 m -41.39 -57.85 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.528 ' CD2' HD21 ' A' ' 62' ' ' LEU . 61.8 m-85 -64.91 -59.28 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 t -46.77 -48.72 20.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.513 ' HE2' ' CD2' ' A' ' 119' ' ' LEU . 1.3 mmmt -72.06 -26.66 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.83 -2.25 87.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.631 ' CE1' ' HG ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -142.79 155.87 44.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 111.004 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.9 mtp -71.66 141.37 49.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.638 ' CD1' ' N ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -114.24 179.75 3.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.5 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 59.5 m -68.93 145.03 54.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.522 ' OE2' ' CD2' ' A' ' 80' ' ' HIS . 34.6 mt-10 -95.02 -9.4 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.62 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 29.2 mt-10 -73.4 -44.55 7.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.94 1.15 8.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 57.1 m-85 -134.11 36.22 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 20.5 mm -80.02 146.48 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.442 ' CD2' HG13 ' A' ' 83' ' ' VAL . 16.8 t60 -107.14 110.46 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.554 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.3 m -113.34 167.11 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -135.54 140.61 11.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.9 28.25 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.64 156.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 73.1 p -98.15 106.17 18.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -159.88 158.19 30.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 0.766 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -177.79 74.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.7 121.43 4.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -178.25 159.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.5 p -176.04 160.81 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.15 149.13 4.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.3 t -178.5 136.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.4 136.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.9 p 179.34 91.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tt -173.99 128.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 p -165.52 149.13 8.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 108.278 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -175.96 92.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m 175.12 136.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.37 -61.14 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 61.71 165.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -120.57 138.35 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -52.85 -179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.99 -165.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.24 151.6 78.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.3 3.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.3 p -108.8 165.27 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' CB ' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -59.33 -60.55 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -44.28 -26.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 23' ' ' LEU . 26.6 m-20 -121.28 59.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -85.91 -43.14 13.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -71.08 -13.13 61.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -110.98 -7.79 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -69.03 131.5 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 32.2 t0 -97.31 89.26 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 p -52.74 -34.57 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -8.7 31.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -77.16 -45.48 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 45.7 m-85 -48.96 123.87 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -88.93 2.37 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.74 166.51 0.15 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.12 43.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.62 -3.59 32.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -124.85 20.15 8.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' ASP . 47.6 tp -40.02 -59.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -98.85 53.45 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.42 126.58 27.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.99 38.87 39.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.9 m -122.24 109.11 14.07 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' CB ' ' HA ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -86.56 126.35 34.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.4 mt -125.79 143.46 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.583 ' CD2' HD21 ' A' ' 74' ' ' LEU . 55.5 t80 -110.35 118.81 37.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 47.1 mt -83.14 132.82 35.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.26 136.85 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 108.29 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.92 56.05 16.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 19.1 m-85 -148.24 133.75 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.14 165.71 35.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.29 -120.73 13.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -48.03 10.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.465 ' CB ' HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -40.04 -46.14 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 57' ' ' ASP . 15.1 tp -72.04 -59.4 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' LEU . 11.7 t70 -39.3 -45.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 29' ' ' LEU . 72.6 mmtt -56.28 -70.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.512 ' CD2' ' CZ ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -41.16 -47.61 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -52.3 -44.1 64.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' LYS . 80.2 mtt180 -73.28 -30.49 63.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.572 HD22 ' CD2' ' A' ' 113' ' ' PHE . 2.7 mp -68.77 -68.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 8.7 mt -39.41 -54.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.19 -45.3 91.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' LEU . 30.5 t -58.75 -27.85 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' ASP . . . -88.33 -18.67 54.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.51 -1.58 62.14 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.13 167.65 54.87 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -107.56 135.78 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.8 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 46' ' ' ILE . 7.7 ttp-105 -103.0 107.86 18.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CZ ' ' CB ' ' A' ' 77' ' ' ASP . 2.0 m-85 -86.53 104.23 15.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.43 -15.31 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -129.49 141.87 50.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.583 HD21 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -71.9 126.48 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -147.81 -175.64 4.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -87.31 16.84 4.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.621 ' CB ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -100.88 -48.43 4.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.471 HG23 ' CB ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -54.35 139.06 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.488 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 21.5 p -118.6 5.4 11.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.815 ' CD2' ' CD2' ' A' ' 102' ' ' HIS . 45.3 m80 -155.27 138.69 15.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.564 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 102' ' ' HIS . 40.3 t -126.16 109.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 106' ' ' ALA . 1.2 mm -92.08 104.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 ' CG2' HG11 ' A' ' 103' ' ' VAL . 33.3 t -86.22 115.41 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.26 -41.6 4.22 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -124.68 -44.86 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -173.63 173.43 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 29.7 p-10 -138.52 92.42 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -94.38 -32.17 13.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' GLN . 3.3 tp10 -67.67 -47.24 70.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.604 ' CD2' ' CE2' ' A' ' 94' ' ' TRP . 0.9 OUTLIER -44.91 -49.95 10.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' HA ' ' CE3' ' A' ' 94' ' ' TRP . 33.0 mttt -51.33 -37.76 49.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -66.49 -44.12 83.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 97' ' ' SER . 50.9 t80 -65.46 -16.15 63.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.604 ' CE2' ' CD2' ' A' ' 90' ' ' LEU . 16.8 m0 -79.61 -12.04 59.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 107.988 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -116.97 11.1 14.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -110.91 -77.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.431 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 45.9 m -106.83 158.94 16.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.2 96.67 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -175.44 130.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -118.88 94.19 47.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 156.3 42.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.815 ' CD2' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -61.95 156.08 21.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' A' ' 83' ' ' VAL . 18.2 t -135.27 95.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.577 HG22 ' CE1' ' A' ' 102' ' ' HIS . 3.1 m -126.35 178.24 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.38 165.71 23.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.158 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.465 ' HA ' ' CG2' ' A' ' 82' ' ' ILE . . . -58.02 -36.0 72.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 106' ' ' ALA . 15.6 tttt -38.8 -48.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 62.5 t90 -53.97 -63.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' TRP . 0.5 OUTLIER -40.28 -46.58 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.89 -59.29 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.1 mm-40 -50.97 -33.74 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.233 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.567 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 34.5 m -64.08 -57.66 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.246 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.572 ' CD2' HD22 ' A' ' 62' ' ' LEU . 47.8 m-85 -69.47 -12.47 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.5 t -90.78 -43.42 10.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.5 mmtt -79.57 -18.21 52.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.53 -15.99 60.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.687 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 3.7 p90 -136.9 155.37 49.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.502 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 66.4 mtp -65.0 139.84 58.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.687 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -113.76 177.17 4.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.415 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 49.5 m -62.66 141.69 58.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.594 ' OE2' ' CZ2' ' A' ' 108' ' ' TRP . 1.2 mp0 -96.32 -23.83 16.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.586 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 17.8 mt-10 -55.27 -46.37 99.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.98 6.92 3.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.441 ' CD1' ' HB2' ' A' ' 108' ' ' TRP . 45.3 m-85 -133.14 16.11 4.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.518 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 8.4 mm -62.79 144.75 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -109.72 108.99 19.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.569 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.2 t -114.49 145.15 42.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.03 172.32 39.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 138.97 23.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.1 t -165.01 156.18 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.5 t 72.01 -59.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -132.81 113.78 13.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 109.951 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -177.36 134.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.31 89.91 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.52 137.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.794 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 m -110.41 80.97 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.2 152.39 21.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.25 87.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.81 161.3 17.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.75 88.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.0 tp -170.17 126.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -173.13 81.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.327 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -142.81 112.29 6.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.2 130.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -67.99 146.75 53.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER 177.16 160.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' ASN . 49.4 m 61.56 129.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.943 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.93 142.01 2.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 28' ' ' ASN . 4.3 mt -149.84 163.59 37.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.0 146.15 2.19 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 57.31 4.51 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -113.61 161.4 17.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.56 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -54.71 -72.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 1.3 mp0 -38.1 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' LEU . 61.4 m-20 -110.47 60.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -97.94 -29.74 13.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -69.39 -51.11 39.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.453 ' CB ' HD13 ' A' ' 19' ' ' LEU . 6.0 m-80 -90.86 37.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.458 ' CD2' HD23 ' A' ' 26' ' ' LEU . 20.3 tp -98.96 154.3 18.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 20.4 t0 -119.03 94.49 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.491 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -65.6 -12.44 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.53 9.82 38.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -96.98 -44.27 7.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 113' ' ' PHE . 74.5 m-85 -48.19 120.47 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ALA . 34.6 mt-30 -85.28 -4.11 59.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' CB ' ' HA2' ' A' ' 116' ' ' GLY . . . -44.96 168.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.59 40.75 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.81 -7.43 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -120.16 19.32 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.599 ' CD2' ' CD1' ' A' ' 113' ' ' PHE . 55.4 tp -38.64 -54.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -104.48 57.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -63.63 127.57 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.65 41.91 43.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 42' ' ' ASP . 58.4 m -120.35 109.37 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.568 ' HG2' ' CE1' ' A' ' 71' ' ' PHE . 4.0 mtm-85 -94.43 114.66 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.471 ' CG2' HG12 ' A' ' 82' ' ' ILE . 1.8 mt -114.41 152.51 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.699 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 59.2 t80 -110.19 125.53 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.524 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 87.2 mt -90.67 118.79 30.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.6 t -129.93 138.36 50.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 108.289 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.42 61.6 5.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -151.8 118.17 5.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 0.759 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.98 123.03 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.36 -116.43 3.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -90.28 -52.26 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -40.4 -39.51 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 14.2 tp -71.1 -69.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -38.84 -42.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 10.9 mmtt -53.52 -64.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.524 ' CD1' ' CD2' ' A' ' 48' ' ' LEU . 68.1 mt -46.95 -51.03 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -46.69 -28.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -96.0 -36.38 11.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.491 ' HG ' ' CG2' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -66.96 -60.62 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 3.6 mt -48.7 -43.86 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -41.01 90.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.82 -51.99 52.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -72.39 -2.61 55.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.29 -17.75 49.79 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.49 175.26 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -132.64 121.38 44.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -89.14 131.08 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CE2' ' CB ' ' A' ' 77' ' ' ASP . 2.3 m-85 -103.2 116.93 33.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -58.09 -32.58 68.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -122.96 135.22 54.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -74.46 146.04 43.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 77' ' ' ASP . 7.3 p-10 176.93 -178.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 6.5 mt-10 -64.26 74.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.62 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 4.0 m-20 -168.31 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -73.5 117.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 45' ' ' ARG . 77.8 p -84.12 -18.13 37.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 3.5 m80 -143.06 147.52 35.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.573 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.8 t -121.17 117.36 52.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' A' ' 46' ' ' ILE . 4.1 mm -97.75 101.57 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.402 ' HB ' ' CD2' ' A' ' 126' ' ' HIS . 95.6 t -92.79 131.97 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.88 -61.26 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.65 -38.2 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 8.4 p90 -171.52 165.44 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 5.5 p-10 -137.02 97.56 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -85.93 -33.86 21.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -62.08 -39.94 94.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD23 ' CG2' ' A' ' 103' ' ' VAL . 0.1 OUTLIER -47.99 -61.02 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -42.87 -42.74 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -64.05 -47.66 79.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.537 ' CD2' HD23 ' A' ' 74' ' ' LEU . 29.1 t80 -59.57 -19.89 51.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -81.94 -19.45 40.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.979 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -106.78 9.07 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -82.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 76' ' ' GLU . 47.1 m -105.0 158.29 16.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.31 97.22 10.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -167.34 130.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.01 94.12 37.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -179.97 5.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -92.53 113.81 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.573 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.445 ' CG2' HD23 ' A' ' 90' ' ' LEU . 39.6 t -92.97 98.88 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.501 ' CG1' ' CB ' ' A' ' 121' ' ' GLU . 21.4 m -130.52 177.15 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.62 150.84 18.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.56 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -44.39 -38.11 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 106' ' ' ALA . 10.1 tttt -38.6 -48.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.555 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 23.8 t90 -55.27 -58.61 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 107.994 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -44.95 -45.9 10.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.1 mt -55.58 -64.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.0 mm-40 -46.65 -42.5 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.495 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 59.6 m -50.7 -45.74 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.599 ' CD1' ' CD2' ' A' ' 40' ' ' LEU . 43.0 m-85 -78.64 -48.2 15.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.3 t -54.33 -36.33 63.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 2.7 mmtt -83.45 -26.0 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.464 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 93.41 -13.45 67.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.727 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 4.0 p90 -137.47 139.72 40.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.8 mtp -53.11 140.03 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.727 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 0.5 OUTLIER -116.14 177.46 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -69.57 147.91 50.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.501 ' CB ' ' CG1' ' A' ' 104' ' ' VAL . 0.0 OUTLIER -97.56 -24.22 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.569 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 0.7 OUTLIER -48.71 -47.79 71.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -75.02 3.77 5.33 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.555 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 72.1 m-85 -134.75 24.89 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.559 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 2.8 mm -66.53 154.93 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.402 ' CD2' ' HB ' ' A' ' 83' ' ' VAL . 2.2 t-80 -113.15 111.35 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.62 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 t -87.18 147.66 25.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -140.12 -74.68 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.42 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 82.3 p -145.03 160.49 41.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 t -127.92 162.67 26.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -71.69 151.9 43.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -98.46 92.27 5.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.064 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.68 115.48 1.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -59.94 126.46 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.79 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.45 160.9 31.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.07 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.26 95.8 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.35 88.17 1.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.756 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -92.69 111.75 23.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.2 p -168.17 89.39 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pt -108.97 131.0 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.5 p -174.42 147.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.259 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 61.72 147.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.49 117.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.64 152.69 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.73 116.48 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.28 118.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.58 150.08 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -155.45 157.87 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.5 153.28 0.31 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 58.14 4.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 p -108.03 153.78 22.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -49.0 -57.33 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.15 -23.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -120.91 61.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.487 HD22 ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.13 -42.23 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 5.3 mt-10 -74.47 -24.75 59.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -107.03 24.92 12.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -101.0 155.27 18.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 12.0 t0 -116.0 92.49 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.476 ' CG2' ' HG ' ' A' ' 62' ' ' LEU . 2.7 p -53.41 -33.0 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -6.01 31.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -76.94 -46.75 23.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 29' ' ' LEU . 64.5 m-85 -51.03 127.12 18.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 6.0 tt0 -91.39 -3.58 56.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 35' ' ' GLN . . . -41.68 162.84 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 159.65 41.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' CA ' ' A' ' 67' ' ' GLY . 2.2 mt-10 -75.07 -11.99 60.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.68 20.86 16.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 66' ' ' GLY . 37.1 tp -43.05 -58.79 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -106.68 39.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -44.52 122.51 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.12 40.54 97.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 56.1 m -120.7 107.4 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' THR . 11.7 mtt-85 -83.3 101.79 11.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.449 HG21 ' N ' ' A' ' 47' ' ' TYR . 3.5 mt -102.18 165.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' A' ' 74' ' ' LEU . 78.1 t80 -144.55 170.96 15.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.499 HD13 ' CD2' ' A' ' 59' ' ' LEU . 2.2 mm? -125.6 125.03 42.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 t -127.75 98.8 5.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.29 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.81 24.48 5.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.493 ' CZ ' HD23 ' A' ' 59' ' ' LEU . 57.8 m-85 -119.58 169.52 9.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.15 -74.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . -55.09 -165.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLY . 47.9 mtt180 -38.46 -38.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -42.42 -48.01 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASP . 1.4 tp -65.54 -69.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.8 t70 -39.26 -42.14 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 10.0 mmtt -50.06 -62.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.499 ' CD2' HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -55.3 -46.45 76.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -48.93 -47.71 43.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -68.87 -42.18 77.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.557 HD23 ' CD2' ' A' ' 113' ' ' PHE . 0.9 OUTLIER -59.61 -66.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' LEU . 4.6 mt -37.81 -55.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.69 -44.44 96.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 20.0 t -61.88 -14.03 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -110.42 -1.55 29.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 38' ' ' GLU . . . 87.15 -18.86 33.96 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 41' ' ' LEU . . . -51.13 155.12 3.55 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' A' ' 71' ' ' PHE . 13.5 t -92.89 111.5 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -87.22 100.16 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.483 ' O ' ' CZ ' ' A' ' 70' ' ' ARG . 1.6 m-30 -73.94 154.37 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -90.3 -30.97 17.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -136.3 146.24 46.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -70.3 164.03 25.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.569 ' HA ' ' CD1' ' A' ' 93' ' ' PHE . 5.3 p30 156.82 -175.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 17.4 mt-10 -65.9 90.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.482 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.2 m-20 169.53 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 80' ' ' HIS . 74.0 t -59.13 106.94 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 72.6 p -76.83 -16.29 59.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.51 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 18.8 m80 -152.17 142.31 22.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.46 ' CG2' HG11 ' A' ' 78' ' ' VAL . 75.3 t -119.93 101.84 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.488 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 1.6 mm -83.83 117.05 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 126' ' ' HIS . 44.4 t -103.36 141.68 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.8 -38.34 3.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -134.83 -49.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -158.03 166.27 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -123.43 85.88 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -93.12 -28.48 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.23 -42.15 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.474 ' CD2' ' CE2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -44.87 -52.68 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' LEU . 18.8 mttm -39.28 -47.43 1.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.6 -52.31 64.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.569 ' CD1' ' HA ' ' A' ' 75' ' ' ASN . 9.6 t80 -58.1 -21.97 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.474 ' CE2' ' CD2' ' A' ' 90' ' ' LEU . 10.9 m0 -82.71 -25.44 32.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 108.012 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -88.56 -0.28 57.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -108.01 -66.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.467 ' CB ' ' HG3' ' A' ' 76' ' ' GLU . 58.8 m -118.09 158.6 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.22 98.24 10.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -152.98 146.97 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.572 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.67 89.29 51.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 178.18 7.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.06 102.23 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -85.33 95.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 121' ' ' GLU . 32.8 m -125.23 175.61 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.41 149.75 18.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.03 -35.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 106' ' ' ALA . 4.3 tttt -39.34 -46.99 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.592 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 49.1 t90 -59.48 -64.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 108' ' ' TRP . 0.5 OUTLIER -38.02 -51.31 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' SER . 25.9 mt -54.25 -63.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.468 ' CB ' HD12 ' A' ' 119' ' ' LEU . 4.4 mm-40 -44.12 -40.08 4.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 68.8 m -60.59 -57.28 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.557 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -68.92 -11.56 60.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' LEU . 31.1 t -88.56 -46.02 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 2.3 mmtt -76.59 -21.79 55.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 98.54 -15.22 61.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.598 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 13.1 p90 -134.25 164.83 26.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.4 mtp -73.92 135.24 43.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.598 ' CD2' ' CE1' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -109.6 176.79 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.444 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 8.1 m -67.44 145.81 54.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.592 ' OE2' ' CZ2' ' A' ' 108' ' ' TRP . 1.7 mp0 -95.02 -10.24 31.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.644 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 32.0 mt-10 -63.75 -43.11 75.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.05 2.11 7.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.496 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 96.8 m-85 -138.93 43.22 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 30.7 mm -87.08 149.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.571 ' CD2' HG12 ' A' ' 83' ' ' VAL . 1.8 t-80 -114.02 106.3 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.7 t -117.11 -60.33 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 124.71 -103.41 0.74 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 115.86 4.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.79 33.19 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.8 m -146.02 148.19 32.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HA ' HD23 ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 p -114.6 155.4 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.967 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -50.23 -57.73 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 42.6 mt-10 -37.9 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . 8.9 m-20 -126.03 53.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -80.12 -44.67 19.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 3.6 mt-10 -59.4 -25.33 64.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -121.29 35.37 4.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.991 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -94.82 122.82 37.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.756 ' N ' HD22 ' A' ' 29' ' ' LEU . 48.4 t0 -80.16 85.59 5.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.838 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.3 p -54.46 -33.43 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -8.21 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -75.37 -46.51 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CE2' HD21 ' A' ' 29' ' ' LEU . 62.3 m-85 -48.0 116.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -79.88 -1.16 37.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.581 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -42.91 164.61 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.02 157.0 42.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -73.7 -3.03 25.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -126.38 20.99 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD22 ' HB1' ' A' ' 36' ' ' ALA . 38.6 tp -39.78 -58.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.742 HD11 ' HE1' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -107.25 63.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.74 124.83 23.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.54 38.65 58.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.0 m -112.3 105.83 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.4 mtm-85 -89.52 111.93 22.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.693 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.5 mp -111.3 150.6 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.912 ' CE2' HD12 ' A' ' 74' ' ' LEU . 73.2 t80 -110.31 116.27 31.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.745 HD22 HD23 ' A' ' 59' ' ' LEU . 81.7 mt -87.97 130.91 34.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.18 137.25 25.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 108.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.35 -70.48 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 106' ' ' ALA . 43.7 m-85 -42.02 161.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.12 -56.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.85 -132.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 50.3 mtt-85 -71.32 -38.92 71.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HB3' HD13 ' A' ' 26' ' ' LEU . 10.5 mttt -40.19 -49.27 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 HD13 ' A' ' 48' ' ' LEU . 40.8 tp -66.88 -58.21 5.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.69 -34.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 61' ' ' ARG . 49.6 mmtt -66.74 -68.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.745 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -38.64 -40.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -57.26 -51.34 69.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 65' ' ' SER . 66.4 mtt85 -69.5 -31.16 69.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.838 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.6 mp -69.26 -71.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.9 mt -38.65 -54.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -61.19 -44.59 97.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 2.7 t -54.81 -36.32 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -91.65 5.56 79.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.97 -20.62 27.91 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -46.82 164.88 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -119.98 122.87 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.568 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.61 106.42 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 73' ' ' GLN . 1.1 m-85 -80.32 141.27 35.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -79.35 -23.21 43.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 2.5 mt-30 -129.99 175.0 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.912 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -101.29 159.0 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.585 ' H ' HD23 ' A' ' 74' ' ' LEU . 35.2 m-80 -173.4 -175.71 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -74.64 -15.51 60.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -73.93 -35.46 64.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 80' ' ' HIS . 55.4 t -44.67 122.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.551 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 47.3 p -99.09 -12.41 20.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.693 ' HB2' HG23 ' A' ' 46' ' ' ILE . 25.5 m80 -159.72 159.47 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 47' ' ' TYR . 41.6 t -137.6 96.27 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.677 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.2 mm -77.49 105.28 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.654 ' CG2' HG13 ' A' ' 103' ' ' VAL . 58.0 t -95.25 150.95 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.11 -34.22 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -141.64 -49.13 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.75 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.543 ' CE2' ' OD1' ' A' ' 88' ' ' ASP . 0.4 OUTLIER -168.21 145.85 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -116.43 104.71 11.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.543 ' OD1' ' CE2' ' A' ' 86' ' ' TYR . 44.2 m-20 -79.87 -56.71 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -40.04 -43.78 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.597 HD21 ' CG2' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -41.45 -48.46 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -55.94 -52.68 63.27 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -55.25 -54.01 48.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.57 ' CD2' HD22 ' A' ' 74' ' ' LEU . 35.6 t80 -53.32 -35.72 60.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -67.92 -33.1 74.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -80.51 -10.69 59.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -96.19 -79.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.7 m -99.1 157.79 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.57 99.01 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -159.77 156.45 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -125.79 92.0 47.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.0 36.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -84.88 105.16 15.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.654 HG13 ' CG2' ' A' ' 83' ' ' VAL . 85.1 t -92.03 109.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.793 HG21 ' OE2' ' A' ' 121' ' ' GLU . 29.7 m -135.35 177.37 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.76 148.5 18.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.967 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -41.96 -35.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.403 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.0 tttt -40.73 -48.31 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.553 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 35.5 t90 -57.73 -61.16 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.494 ' HG ' HD11 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -39.36 -49.14 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 mt -56.08 -64.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 119' ' ' LEU . 4.3 mm-40 -42.14 -42.0 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 71.9 m -58.34 -57.8 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.742 ' HE1' HD11 ' A' ' 41' ' ' LEU . 21.5 m-85 -68.46 -8.71 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.8 t -91.81 -44.05 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HG3' HD11 ' A' ' 119' ' ' LEU . 1.6 mmtt -80.11 -21.62 43.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.78 -9.96 68.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.543 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 13.0 p90 -140.47 156.66 46.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.7 mtp -63.99 142.12 58.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.595 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.1 mt -116.15 176.74 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.451 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 58.5 m -64.84 146.26 55.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.793 ' OE2' HG21 ' A' ' 104' ' ' VAL . 1.6 mm-40 -96.19 -24.22 16.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.614 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.3 mt-10 -55.27 -44.39 99.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.16 5.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.597 ' O ' HG12 ' A' ' 104' ' ' VAL . 69.4 m-85 -139.45 41.33 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 24.2 mm -85.36 140.68 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -101.67 109.96 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.679 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.0 p -119.27 159.41 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.785 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -53.4 -58.11 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.52 -21.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -122.26 60.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.704 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -93.87 -41.43 9.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.04 -37.86 84.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -103.82 45.73 0.95 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 21' ' ' PRO . 21.5 tp -102.74 149.75 24.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' H ' HD12 ' A' ' 29' ' ' LEU . 43.3 t0 -114.74 80.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.888 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -54.06 -23.33 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -15.24 60.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -47.46 62.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.689 ' CE2' HD21 ' A' ' 62' ' ' LEU . 45.9 m-85 -46.49 124.46 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ALA . 9.8 mm-40 -94.0 -1.75 54.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.06 166.65 0.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.04 154.81 42.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.432 1.754 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.18 -5.34 31.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -120.76 19.32 11.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.518 HD22 ' HB1' ' A' ' 36' ' ' ALA . 37.7 tp -39.95 -58.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -104.59 66.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.98 123.29 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.59 37.68 93.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.5 m -119.4 108.79 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.545 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 4.4 mtt180 -91.88 109.26 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.616 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.6 mp -110.3 154.47 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.689 ' HB3' HG22 ' A' ' 81' ' ' VAL . 4.0 t80 -118.07 123.49 45.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.79 HD22 HD23 ' A' ' 59' ' ' LEU . 91.9 mt -89.56 129.74 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.54 139.09 45.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . 93.75 -68.91 1.47 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE1' ' CA ' ' A' ' 84' ' ' GLY . 30.3 m-85 -37.52 154.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -153.03 -68.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.96 -145.03 0.47 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -44.16 -45.0 8.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.704 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -42.85 -47.93 5.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.58 HD12 HD13 ' A' ' 48' ' ' LEU . 35.9 tp -71.94 -63.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -35.49 -40.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' ARG . 14.1 mmtt -55.67 -69.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.79 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -41.99 -48.34 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -48.62 -41.58 31.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LYS . 85.3 mtt180 -75.9 -35.38 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.888 ' HG ' HG23 ' A' ' 31' ' ' VAL . 2.7 mp -67.39 -69.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' LEU . 15.8 mt -37.29 -56.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -47.63 85.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' LEU . 9.4 t -55.19 -29.44 57.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -92.01 -15.9 52.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.52 -16.62 54.78 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.88 161.2 5.01 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 t -111.38 116.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 101.55 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 1.1 m-30 -76.55 121.95 23.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -74.81 -17.41 60.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -129.75 152.9 48.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.689 HD22 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -98.35 162.11 13.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.584 ' H ' HD23 ' A' ' 74' ' ' LEU . 1.9 p30 157.47 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -64.36 93.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 165.91 -34.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.528 HG21 ' HG ' ' A' ' 74' ' ' LEU . 51.1 t -54.83 115.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 50.4 p -85.89 -19.48 30.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.616 ' HB2' HG23 ' A' ' 46' ' ' ILE . 23.0 m80 -155.25 161.68 41.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.732 HG11 HD21 ' A' ' 90' ' ' LEU . 40.6 t -140.18 96.24 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.633 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.3 mm -78.57 108.64 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 86' ' ' TYR . 82.9 t -93.71 131.13 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.581 ' CA ' ' CE1' ' A' ' 51' ' ' PHE . . . -94.1 -40.68 4.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -133.54 -47.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.75 ' O ' HG13 ' A' ' 83' ' ' VAL . 2.9 m-85 -151.21 176.78 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' HB3' HG22 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -144.29 75.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' GLU . 58.7 m-20 -82.88 -48.15 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.2 OUTLIER -37.79 -39.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.732 HD21 HG11 ' A' ' 81' ' ' VAL . 4.1 mm? -47.9 -54.53 12.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' LEU . 19.7 mttt -38.39 -56.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.89 -53.73 24.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.689 ' CD2' HD22 ' A' ' 74' ' ' LEU . 14.9 t80 -64.3 -32.61 74.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.581 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 26.2 m0 -74.38 -11.55 60.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -101.61 -0.32 34.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.228 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -110.61 -83.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -96.47 158.16 15.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.5 98.42 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -163.81 136.3 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.79 100.54 46.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.54 8.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -86.95 102.33 14.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.652 HG13 ' CG2' ' A' ' 83' ' ' VAL . 71.0 t -88.89 96.47 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.669 HG11 ' HB3' ' A' ' 121' ' ' GLU . 28.4 m -122.99 175.74 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.3 150.63 17.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.785 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.39 -36.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -38.89 -43.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.595 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 49.8 t90 -63.82 -64.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.561 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -38.96 -52.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.7 mt -50.46 -64.47 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.5 mm-40 -47.41 -41.07 19.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 31.2 m -53.84 -56.79 14.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CE2' HD22 ' A' ' 109' ' ' LEU . 37.0 m-85 -68.63 -38.19 80.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -61.9 -41.87 98.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.14 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.739 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.2 mmtt -79.86 -25.98 40.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.71 -11.53 66.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.78 ' CE2' HD23 ' A' ' 119' ' ' LEU . 9.1 p90 -140.37 149.16 42.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.477 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 60.7 mtp -59.88 140.76 56.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.78 HD23 ' CE2' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -116.29 177.15 4.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.454 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 9.8 m -62.88 144.56 56.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.669 ' HB3' HG11 ' A' ' 104' ' ' VAL . 0.8 OUTLIER -95.89 -10.14 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 21.4 mt-10 -66.53 -42.87 49.36 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.93 2.83 6.15 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.555 ' O ' HG12 ' A' ' 104' ' ' VAL . 97.3 m-85 -140.23 42.48 1.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 25.7 mm -84.9 145.59 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.64 ' HB3' HG12 ' A' ' 103' ' ' VAL . 3.6 t-80 -106.5 110.77 23.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.614 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.651 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -117.03 152.96 33.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -43.08 -58.89 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.13 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -76.12 57.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.401 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 21.2 tp -96.74 -27.46 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.66 -42.91 70.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -96.14 36.36 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.651 HD13 ' HA ' ' A' ' 21' ' ' PRO . 9.4 tp -92.32 158.84 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.453 ' H ' HD12 ' A' ' 29' ' ' LEU . 19.3 t0 -120.41 84.65 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.94 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -53.45 -23.37 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -20.34 59.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.47 73.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.784 ' CE2' HD21 ' A' ' 62' ' ' LEU . 38.5 m-85 -45.73 119.11 2.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 13.2 tt0 -90.23 -0.91 57.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.66 168.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 159.43 41.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' SER . 28.0 mt-10 -76.13 -3.32 35.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -123.95 21.42 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.406 HD13 ' HD2' ' A' ' 37' ' ' PRO . 51.3 tp -40.46 -59.16 1.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -102.36 54.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.51 131.3 49.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.63 42.46 20.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.26 109.32 13.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 3.7 mtm-85 -91.13 111.19 22.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.7 mp -110.68 151.37 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CZ ' HD12 ' A' ' 74' ' ' LEU . 9.9 t80 -114.34 120.16 39.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.871 HD22 HD23 ' A' ' 59' ' ' LEU . 44.9 mt -82.73 120.65 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.616 ' SG ' HG13 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -124.09 130.75 53.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 108.351 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.33 63.1 3.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' O ' HD22 ' A' ' 56' ' ' LEU . 22.0 m-85 -153.16 128.97 10.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.54 133.32 4.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.962 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.37 -111.56 4.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 mtt85 -90.54 -49.99 6.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -45.76 -42.03 11.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 51' ' ' PHE . 9.5 tp -71.22 -68.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 56' ' ' LEU . 2.5 t0 -34.6 -47.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -52.1 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.871 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.29 -48.95 24.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 10.8 mtm180 -47.79 -43.8 27.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -73.62 -41.29 62.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.94 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.3 mp -58.48 -67.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.41 HG13 HD21 ' A' ' 109' ' ' LEU . 17.2 mt -40.89 -54.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -45.51 90.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 19.4 t -55.65 -37.44 68.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -87.38 0.39 85.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.88 -13.92 54.64 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.402 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -51.85 160.75 2.16 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 t -112.65 116.16 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.429 ' HD2' HD12 ' A' ' 48' ' ' LEU . 20.1 ttp-105 -80.8 105.35 11.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.485 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -79.92 124.02 28.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -75.79 -16.45 60.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -126.57 167.97 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.679 HD23 ' H ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -107.98 160.86 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.679 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER 170.23 -176.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.07 -16.09 63.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.25 -44.31 72.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.8 t -43.93 128.65 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.532 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.4 p -105.81 -9.99 16.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.686 ' HB2' HG23 ' A' ' 46' ' ' ILE . 26.7 m80 -158.95 157.2 30.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.738 HG11 HD21 ' A' ' 90' ' ' LEU . 36.1 t -137.01 99.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 1.2 mm -81.53 103.97 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.719 ' CG2' HG13 ' A' ' 103' ' ' VAL . 49.0 t -86.21 122.83 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.41 -47.24 3.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.545 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 1.5 t0 -122.74 -46.35 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 8.1 p90 -164.45 153.75 13.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.548 ' OD1' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -112.75 85.67 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' LYS . 86.8 m-20 -93.51 -52.33 4.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -37.58 -36.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.738 HD21 HG11 ' A' ' 81' ' ' VAL . 2.8 mm? -50.65 -52.06 43.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' ASP . 13.3 mttt -38.69 -53.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -55.48 -54.53 42.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CD2' HD22 ' A' ' 74' ' ' LEU . 20.1 t80 -57.26 -43.82 83.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.581 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 16.3 m0 -63.8 -27.42 69.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.11 -10.02 59.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.89 -83.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 63.0 m -95.64 157.73 15.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.52 98.92 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -155.4 149.37 25.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.566 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -125.46 90.46 50.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 166.66 28.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -78.32 101.79 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.631 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.719 HG13 ' CG2' ' A' ' 83' ' ' VAL . 97.1 t -90.2 96.88 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 124' ' ' TYR . 35.4 m -124.8 178.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.37 151.54 17.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.615 ' HB3' HD22 ' A' ' 23' ' ' LEU . . . -42.58 -37.95 1.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' ALA . 16.1 tttt -38.68 -48.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.554 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 54.2 t90 -52.42 -67.45 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 109' ' ' LEU . 10.6 tp -40.02 -59.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.404 HD23 HD22 ' A' ' 62' ' ' LEU . 42.1 mt -39.91 -62.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 1.9 mm-40 -55.38 -41.86 73.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 43.2 m -52.21 -51.2 59.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.522 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 24.0 m-85 -71.97 -43.96 64.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.0 t -56.53 -39.38 73.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.726 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.4 mmtt -80.89 -25.46 37.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.441 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 94.61 -11.15 70.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.808 ' CE2' HD23 ' A' ' 119' ' ' LEU . 11.7 p90 -139.46 148.24 42.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 75.6 mtp -59.98 137.66 58.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.808 HD23 ' CE2' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -111.56 176.92 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.454 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 2.6 p -62.04 147.02 48.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 125' ' ' ILE . 3.7 mt-10 -95.66 -11.16 27.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 18.9 mt-10 -65.7 -43.76 61.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.98 11.59 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.524 ' O ' HG12 ' A' ' 104' ' ' VAL . 96.6 m-85 -149.85 43.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 26.1 mm -90.49 149.84 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.429 ' HB3' HG12 ' A' ' 103' ' ' VAL . 1.9 t-80 -114.04 107.49 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 p -96.27 173.91 7.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.713 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -63.47 -63.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.23 -56.52 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -88.14 58.82 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.873 HD12 HD23 ' A' ' 29' ' ' LEU . 50.8 tp -98.05 -35.28 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.587 1.179 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -65.8 -48.64 71.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -73.49 -28.93 62.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.873 HD23 HD12 ' A' ' 26' ' ' LEU . 2.0 tp -46.15 141.28 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.0 t0 -108.12 93.58 4.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.804 HG23 ' HG ' ' A' ' 62' ' ' LEU . 1.7 p -52.44 -35.92 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -64.25 -10.9 26.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -73.58 -46.7 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.797 ' CE2' HD21 ' A' ' 62' ' ' LEU . 52.9 m-85 -48.61 126.47 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -92.22 4.79 52.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.73 167.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.95 167.63 26.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -86.5 10.78 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.33 22.56 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 116' ' ' GLY . 54.2 tp -41.76 -67.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.872 HD11 HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -93.29 54.24 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.64 128.08 34.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.97 40.29 72.43 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.6 m -123.26 114.73 20.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.446 ' CD ' ' CE1' ' A' ' 71' ' ' PHE . 9.9 mtm-85 -95.58 111.32 23.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.502 HG21 ' CG1' ' A' ' 82' ' ' ILE . 1.5 mp -111.31 156.58 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.721 ' HB3' HG22 ' A' ' 81' ' ' VAL . 70.6 t80 -120.2 123.25 42.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.945 HD22 HD23 ' A' ' 59' ' ' LEU . 97.0 mt -92.52 129.77 38.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -145.27 139.08 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.58 69.05 1.42 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.68 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 7.2 m-85 -147.48 -78.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.415 ' N ' ' HB2' ' A' ' 56' ' ' LEU . 4.0 p 53.33 173.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.84 -157.72 15.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -55.51 -46.35 76.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.2 -50.0 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.486 HD12 HD13 ' A' ' 48' ' ' LEU . 27.5 tp -66.15 -57.22 8.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.46 -42.12 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ARG . 46.6 mmtt -55.16 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.945 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -42.19 -48.84 4.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -49.41 -40.41 36.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' LYS . 77.6 mtt180 -78.52 -40.67 34.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.84 HD23 ' CD2' ' A' ' 113' ' ' PHE . 1.0 OUTLIER -60.88 -65.82 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.457 HG13 HD21 ' A' ' 109' ' ' LEU . 16.5 mt -39.3 -54.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.85 -45.14 82.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -58.67 -23.5 59.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -97.92 -14.84 38.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.65 -15.77 61.43 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.22 167.83 0.82 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.2 t -118.14 117.92 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.503 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.46 105.58 9.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.446 ' CE1' ' CD ' ' A' ' 45' ' ' ARG . 1.3 m-85 -79.68 129.56 34.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.49 ' OD1' ' CZ ' ' A' ' 70' ' ' ARG . 2.2 m120 -96.15 10.42 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -143.13 149.65 38.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -93.26 122.23 35.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -154.28 -177.22 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -74.14 -26.84 60.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -57.07 -34.86 68.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.48 130.23 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.454 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 50.2 p -105.15 -14.63 15.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.481 ' HB2' HG23 ' A' ' 46' ' ' ILE . 21.2 m80 -155.95 159.04 38.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.768 HG11 ' CD1' ' A' ' 90' ' ' LEU . 44.7 t -138.97 104.71 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.693 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.1 mm -85.6 112.69 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.595 ' CG2' HG13 ' A' ' 103' ' ' VAL . 44.4 t -101.87 138.5 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.9 -44.92 1.69 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 3.8 m-20 -124.46 -45.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 11.0 p90 -167.74 165.15 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' OD2' HD13 ' A' ' 90' ' ' LEU . 15.6 p-10 -130.55 100.06 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' GLU . 9.5 m-20 -93.73 -54.61 3.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' ASP . 2.6 tt0 -38.23 -45.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.768 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -44.97 -57.27 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -40.07 -44.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.74 -46.65 81.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.46 ' CG ' HD12 ' A' ' 74' ' ' LEU . 11.9 t80 -64.1 -25.79 68.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.576 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 5.9 m0 -75.43 -23.16 56.93 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -90.93 -7.85 50.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -99.74 -72.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.406 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 68.5 m -103.69 157.8 16.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -99.74 99.3 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -162.15 149.27 13.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.564 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -121.2 91.3 48.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.66 30.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.406 ' CB ' ' OE1' ' A' ' 121' ' ' GLU . 15.0 m170 -83.4 102.52 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.592 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.645 HG12 ' HB3' ' A' ' 126' ' ' HIS . 94.5 t -91.49 94.6 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 124' ' ' TYR . 27.2 m -120.68 174.63 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.77 149.72 18.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.713 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.56 -37.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' ALA . 6.0 tttm -38.34 -41.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 124' ' ' TYR . 50.0 t90 -63.32 -69.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.872 HD11 HD11 ' A' ' 41' ' ' LEU . 17.5 tp -41.56 -48.42 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 mt -48.58 -63.52 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.5 mm-40 -51.11 -44.66 61.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 73.4 m -51.06 -59.61 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.84 ' CD2' HD23 ' A' ' 62' ' ' LEU . 23.6 m-85 -63.47 -7.47 6.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.48 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.69 -41.77 11.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.2 OUTLIER -87.48 -25.2 23.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.66 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 97.75 -12.51 64.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.751 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.5 p90 -129.54 145.72 51.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 70.5 mtp -60.35 143.95 51.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.751 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -117.14 176.82 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.44 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 23.5 m -64.0 147.06 52.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.543 ' CB ' HG11 ' A' ' 104' ' ' VAL . 29.5 mt-10 -95.48 -19.45 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 21.0 mt-10 -55.79 -44.22 99.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.12 5.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.576 ' O ' HG12 ' A' ' 104' ' ' VAL . 97.6 m-85 -141.76 44.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 31.1 mm -87.87 149.52 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.645 ' HB3' HG12 ' A' ' 103' ' ' VAL . 5.0 t-80 -111.53 107.66 16.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 1.009 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.5 p -122.62 165.53 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.136 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -62.27 -62.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -42.58 -26.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 23' ' ' LEU . 1.3 m-20 -120.0 58.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -86.14 -35.96 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -66.87 -35.53 80.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -105.48 38.18 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.009 HD13 ' HA ' ' A' ' 21' ' ' PRO . 14.2 tp -100.66 136.99 39.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.486 ' H ' HD12 ' A' ' 29' ' ' LEU . 50.6 t0 -97.96 98.03 9.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.977 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -69.44 -19.36 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.62 6.22 32.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.474 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -92.7 -44.46 8.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.975 ' CE2' HD21 ' A' ' 62' ' ' LEU . 65.8 m-85 -47.66 118.62 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 17.7 tt0 -87.57 -2.43 58.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.654 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.3 169.91 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.95 157.4 43.01 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 65' ' ' SER . 4.4 mt-10 -74.36 -2.29 24.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.02 27.71 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.502 HD23 ' CE1' ' A' ' 113' ' ' PHE . 38.5 tp -46.49 -62.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -101.08 41.17 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -46.27 128.38 9.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.06 42.45 39.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.7 m -119.21 110.19 16.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 5.3 mtt-85 -93.21 109.54 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.513 HG21 ' CG1' ' A' ' 82' ' ' ILE . 1.6 mt -110.29 140.86 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.735 ' CZ ' HD12 ' A' ' 74' ' ' LEU . 27.9 t80 -94.91 114.66 26.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.069 HD22 HD13 ' A' ' 59' ' ' LEU . 63.9 mt -84.31 116.61 23.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' PHE . 4.4 t -117.9 163.68 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.317 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.08 -65.52 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.682 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 18.6 m-85 -37.46 140.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 t -156.41 -49.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.039 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.84 -116.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -81.14 -43.5 19.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.813 ' HB3' HD13 ' A' ' 26' ' ' LEU . 3.2 mttt -40.04 -40.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.539 HD12 HD13 ' A' ' 48' ' ' LEU . 18.2 tp -71.8 -64.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' LEU . 8.6 t0 -39.85 -45.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 29' ' ' LEU . 24.6 mmtt -56.65 -61.91 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.069 HD13 HD22 ' A' ' 48' ' ' LEU . 71.0 mt -48.81 -50.91 32.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG2' ' CD ' ' A' ' 70' ' ' ARG . 63.2 mtp180 -43.71 -26.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 59' ' ' LEU . 91.7 mtt180 -92.51 -39.39 11.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.977 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -64.56 -63.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.849 HD11 HD21 ' A' ' 48' ' ' LEU . 3.2 mt -48.63 -31.17 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.03 -47.16 16.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -53.85 -48.09 70.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -72.32 -2.08 53.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.31 -15.57 53.35 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -48.42 172.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.94 113.39 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.722 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -76.03 120.04 20.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -103.38 124.64 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -78.19 -18.73 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -119.41 164.45 15.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.735 HD12 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -105.31 158.6 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.433 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.5 OUTLIER 167.82 173.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -56.57 -16.86 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -70.96 -27.04 63.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.423 HG11 HG22 ' A' ' 81' ' ' VAL . 43.6 t -66.95 125.48 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.559 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 31.9 p -101.65 -12.49 18.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 79' ' ' THR . 23.6 m80 -159.96 143.69 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.923 HG11 HD22 ' A' ' 90' ' ' LEU . 72.7 t -122.18 102.74 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.513 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.5 mm -83.17 100.79 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.02 HG22 ' OD2' ' A' ' 87' ' ' ASP . 87.2 t -82.06 138.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.13 -17.18 5.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -132.54 -69.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.504 ' CG ' ' N ' ' A' ' 87' ' ' ASP . 8.3 p90 -159.02 -40.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.02 ' OD2' HG22 ' A' ' 83' ' ' VAL . 6.2 m-20 68.1 110.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.411 ' HB2' ' CE2' ' A' ' 86' ' ' TYR . 1.8 t0 -94.42 -45.2 7.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' GLN . 2.3 tt0 -44.87 -41.64 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.923 HD22 HG11 ' A' ' 81' ' ' VAL . 1.1 tp -46.6 -35.65 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -71.31 -41.78 69.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -67.6 -47.84 68.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.48 ' CG ' HD22 ' A' ' 74' ' ' LEU . 32.4 t80 -56.17 -30.67 62.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -71.56 -20.89 61.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 107.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -6.14 42.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -99.55 -82.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.8 m -93.86 157.84 15.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.961 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.16 98.9 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -164.06 153.12 13.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.633 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.25 89.49 51.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.361 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.448 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.94 155.78 43.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.438 1.757 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -71.59 101.6 2.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.562 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.852 HG22 HD21 ' A' ' 90' ' ' LEU . 46.7 t -87.78 94.72 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 121' ' ' GLU . 33.3 m -129.41 179.29 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -107.1 150.52 16.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 1.136 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.17 -37.35 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.734 ' H ' HD23 ' A' ' 23' ' ' LEU . 7.9 tttt -39.72 -43.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 36.2 t90 -57.96 -65.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 41' ' ' LEU . 18.2 tp -40.74 -58.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.584 HD22 HD21 ' A' ' 29' ' ' LEU . 23.9 mt -39.12 -59.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 1.2 mm-40 -57.18 -39.02 74.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 34.3 m -54.44 -50.21 68.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.557 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 28.5 m-85 -74.68 -43.13 56.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.3 t -56.59 -40.19 74.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.752 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.6 mmtt -80.61 -25.77 38.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.431 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 98.18 -13.72 63.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.731 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.1 p90 -139.45 150.61 45.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 37.3 mtp -61.1 140.08 57.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.752 HD11 ' HG3' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -113.71 177.01 4.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.464 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 52.9 m -61.7 143.23 56.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.058 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.564 ' HB3' HG11 ' A' ' 104' ' ' VAL . 0.7 OUTLIER -95.97 -10.99 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 26.5 mt-10 -66.62 -43.04 49.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.6 Cg_endo -74.94 3.02 5.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.462 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 80.0 m-85 -136.56 38.03 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 18.3 mm -83.59 149.24 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -113.88 116.79 29.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.0 p -116.47 173.39 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.835 ' CD1' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -71.11 -54.03 12.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -40.48 -30.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' LEU . 2.1 m-80 -129.0 51.4 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 26' ' ' LEU . 11.1 tp -77.61 -35.84 52.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -74.06 -15.43 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -107.35 -8.86 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.988 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.9 128.18 34.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.756 ' N ' HD22 ' A' ' 29' ' ' LEU . 13.9 t70 -89.1 94.01 9.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.764 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.4 p -51.85 -34.92 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -63.22 -14.56 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -69.51 -47.65 63.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.618 ' CE2' HD21 ' A' ' 62' ' ' LEU . 55.2 m-85 -46.99 122.24 4.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -92.8 1.89 57.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -46.08 168.22 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.03 159.22 41.5 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.87 -0.08 22.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -126.71 18.87 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.474 HD22 ' HB1' ' A' ' 36' ' ' ALA . 36.9 tp -39.4 -52.39 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' ' CA ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -109.61 66.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -73.72 128.31 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.53 41.81 49.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.9 m -118.4 118.29 31.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 71' ' ' PHE . 38.9 mtm-85 -97.56 109.75 22.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 80' ' ' HIS . 2.4 mt -113.49 154.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.785 ' CE2' HD12 ' A' ' 74' ' ' LEU . 4.5 t80 -119.04 119.04 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.896 HD22 HD23 ' A' ' 59' ' ' LEU . 68.4 mt -84.72 129.6 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.77 140.98 34.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 108.292 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.8 40.49 57.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.528 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 27.7 m-85 -139.3 132.79 30.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.0 p -160.03 139.74 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.79 -118.37 5.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -52.43 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -41.52 -55.98 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' ASP . 8.3 tp -60.12 -61.2 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -39.67 -46.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' HD12 ' A' ' 62' ' ' LEU . 67.5 mmtt -56.63 -68.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.896 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.01 -43.32 19.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -54.32 -36.26 63.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -81.14 -34.87 32.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.225 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.764 ' HG ' HG23 ' A' ' 31' ' ' VAL . 2.5 mp -63.05 -68.58 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.441 HG13 HD21 ' A' ' 109' ' ' LEU . 5.4 mt -38.77 -55.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -59.18 -44.65 92.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 45.1 t -60.29 -21.65 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -101.56 -13.1 33.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.6 -12.1 67.88 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -53.42 155.0 6.54 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t -100.57 109.4 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -75.78 101.1 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CZ ' ' HD2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -78.06 123.58 27.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -76.34 -14.6 60.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -132.64 172.33 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.785 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -107.98 168.95 8.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.54 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.6 OUTLIER 166.22 -174.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -73.4 -3.25 26.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -43.82 15.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG11 HG22 ' A' ' 81' ' ' VAL . 78.4 t -45.55 131.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.55 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 72.7 p -105.42 -16.16 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.595 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 1.7 m80 -161.19 142.39 11.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.005 HG11 HD12 ' A' ' 90' ' ' LEU . 25.6 t -124.0 107.43 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.513 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.3 mm -75.75 102.46 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.613 HG12 ' CE1' ' A' ' 126' ' ' HIS . 72.8 t -95.34 114.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.16 -71.53 1.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -106.22 -34.75 7.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -176.26 164.33 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.45 ' HB3' HG22 ' A' ' 83' ' ' VAL . 5.0 p-10 -131.06 117.39 19.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -92.62 -56.64 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -42.32 -50.29 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.005 HD12 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -47.78 -60.45 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' LEU . 77.3 mttt -38.69 -41.42 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -46.8 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.535 ' CD2' HD22 ' A' ' 74' ' ' LEU . 49.5 t80 -60.3 -23.41 64.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.591 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 6.2 m0 -74.01 -12.99 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 108.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -117.05 11.3 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -107.78 -77.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.8 m -105.39 158.12 16.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.2 97.34 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -162.68 152.75 16.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.611 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.11 90.79 50.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.663 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.99 139.72 24.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.595 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 37.7 m80 -62.54 99.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.447 HG13 ' H ' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -88.68 121.26 38.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 124' ' ' TYR . 26.8 m -147.29 175.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.35 150.06 18.0 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.835 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -42.04 -36.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 110' ' ' LEU . 8.1 tttt -41.51 -45.6 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.599 ' CZ3' ' OE2' ' A' ' 121' ' ' GLU . 58.1 t90 -55.11 -68.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.441 HD21 HG13 ' A' ' 63' ' ' ILE . 12.7 tp -39.77 -51.11 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 107' ' ' LYS . 74.8 mt -49.27 -56.45 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.7 mm-40 -60.55 -35.89 77.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.572 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 30.8 m -58.04 -58.77 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.524 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 35.8 m-85 -67.43 -33.54 75.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.4 t -65.63 -43.32 89.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.775 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.1 mmtt -79.86 -19.66 47.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.412 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 89.0 -13.06 64.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.865 ' CE2' HD23 ' A' ' 119' ' ' LEU . 21.3 p90 -136.58 138.04 40.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 85.3 mtp -54.07 134.52 43.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.865 HD23 ' CE2' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -106.88 176.6 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.462 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 60.6 m -60.52 141.73 56.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.599 ' OE2' ' CZ3' ' A' ' 108' ' ' TRP . 2.6 mt-10 -96.06 -12.68 24.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 23.5 mt-10 -67.36 -44.24 45.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.96 2.1 6.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.515 ' O ' HG12 ' A' ' 104' ' ' VAL . 76.2 m-85 -137.03 37.54 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 11.3 mm -78.52 135.92 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.613 ' CE1' HG12 ' A' ' 83' ' ' VAL . 36.9 t-80 -99.02 107.02 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.644 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.8 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -109.05 164.07 12.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.908 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -59.64 -54.47 46.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.5 -52.92 33.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -88.93 54.39 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.954 HD12 HD23 ' A' ' 29' ' ' LEU . 29.2 tp -97.2 -27.55 14.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -77.61 -44.34 28.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -81.11 -10.26 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.954 HD23 HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -65.88 141.92 58.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 18.6 t0 -103.38 94.11 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.783 HG23 ' HG ' ' A' ' 62' ' ' LEU . 1.5 p -55.68 -34.76 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -10.53 35.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.28 -47.81 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 29' ' ' LEU . 63.7 m-85 -50.09 130.28 22.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -98.67 10.16 41.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -49.98 169.78 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.07 166.0 30.03 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -83.39 3.01 33.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -134.46 23.21 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.832 HD13 ' O ' ' A' ' 116' ' ' GLY . 44.1 tp -38.93 -67.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -87.78 54.88 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.44 117.86 14.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.51 77.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.0 m -125.98 105.53 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.473 ' HA ' HG12 ' A' ' 69' ' ' VAL . 73.1 mtm180 -89.43 112.07 23.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.591 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.6 mp -103.72 163.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.731 ' HD2' HG13 ' A' ' 81' ' ' VAL . 55.4 t80 -126.26 113.96 17.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.876 HD22 HD23 ' A' ' 59' ' ' LEU . 67.8 mt -82.22 130.16 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -147.38 108.72 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.248 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.64 52.95 1.08 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.456 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 44.7 m-85 -151.08 132.15 14.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.2 t -163.42 148.58 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.964 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.48 -102.5 2.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.74 -54.64 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -40.55 -46.11 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 51' ' ' PHE . 3.4 tp -67.01 -63.07 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -38.41 -36.21 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 44.4 mmtt -64.24 -67.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.876 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -46.04 -34.99 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.464 ' HG2' ' CD ' ' A' ' 70' ' ' ARG . 3.4 mtt-85 -62.17 -43.59 98.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -76.73 -38.21 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.783 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -63.07 -67.25 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.532 HG21 ' O ' ' A' ' 69' ' ' VAL . 28.2 mt -39.64 -54.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -57.62 -43.52 84.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' LEU . 12.7 t -60.16 -23.04 63.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -104.1 -6.52 42.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.22 -9.57 66.43 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -56.49 171.85 2.18 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.532 ' O ' HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -101.77 169.35 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.694 ' HG3' HD12 ' A' ' 48' ' ' LEU . 49.0 ttp85 -136.72 85.16 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.476 ' CE1' HG11 ' A' ' 69' ' ' VAL . 3.2 m-85 -82.66 157.4 23.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -120.66 -0.32 10.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -127.2 146.38 50.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.646 HD22 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -87.57 122.91 31.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -147.01 -173.39 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -80.82 -27.26 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -33.51 72.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.4 t -55.33 124.24 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.476 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 52.6 p -103.05 -11.21 18.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.41 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.591 ' HB2' HG23 ' A' ' 46' ' ' ILE . 38.1 m80 -155.12 152.62 29.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.731 HG13 ' HD2' ' A' ' 47' ' ' TYR . 54.3 t -134.2 104.84 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.506 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.1 mm -85.12 109.45 18.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.649 ' CG2' HG13 ' A' ' 103' ' ' VAL . 19.5 t -98.08 121.23 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -88.54 -42.98 5.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.29 -44.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -167.59 173.38 8.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -142.47 106.82 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.61 -49.34 5.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.0 OUTLIER -41.89 -52.97 3.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.725 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -40.95 -58.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LEU . 50.7 mttt -39.38 -39.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -73.52 -45.87 51.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' LEU . 40.6 t80 -62.28 -29.12 70.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.492 ' CH2' HD22 ' A' ' 90' ' ' LEU . 2.6 m0 -72.21 -17.95 61.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -102.89 7.69 39.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -111.59 -82.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 m -97.41 157.8 15.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.54 98.53 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -159.41 150.2 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.613 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -120.06 91.05 45.29 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.03 39.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.49 ' CG ' ' OE1' ' A' ' 121' ' ' GLU . 15.9 m170 -85.05 102.03 12.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.643 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.649 HG13 ' CG2' ' A' ' 83' ' ' VAL . 93.7 t -90.98 110.65 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 124' ' ' TYR . 28.5 m -138.54 172.98 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.48 151.86 19.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.908 ' HB3' HD22 ' A' ' 23' ' ' LEU . . . -42.09 -38.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 106' ' ' ALA . 12.3 tttt -39.78 -33.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.456 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 62.2 t90 -67.03 -69.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 41' ' ' LEU . 15.5 tp -41.0 -48.83 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.629 HD22 HD21 ' A' ' 29' ' ' LEU . 74.8 mt -50.18 -62.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 3.6 mm-40 -52.17 -42.69 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.456 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 74.7 m -52.46 -56.08 17.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.75 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -67.69 -5.42 15.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.534 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.22 -42.9 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -85.29 -26.32 26.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.832 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 106.68 -18.65 37.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -128.55 168.73 15.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 26.6 mtp -73.02 144.54 47.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.596 HD21 ' HD3' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -112.36 177.31 4.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.469 ' HB2' ' CG ' ' A' ' 123' ' ' PRO . 72.4 m -67.68 150.29 48.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.49 ' OE1' ' CG ' ' A' ' 102' ' ' HIS . 3.4 mt-10 -95.72 -31.32 13.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 19.5 mt-10 -50.97 -45.79 87.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -74.99 2.39 6.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.682 ' O ' HG12 ' A' ' 104' ' ' VAL . 55.3 m-85 -141.12 44.71 1.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 29.4 mm -87.11 145.66 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -105.64 109.82 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.04 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.724 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.566 ' HG1' ' CG ' ' A' ' 25' ' ' ASN . 82.0 p -109.24 159.62 16.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -58.01 -53.09 62.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -38.62 -34.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.566 ' CG ' ' HG1' ' A' ' 22' ' ' THR . 4.4 p30 -122.98 50.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.575 ' HB2' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.09 -34.39 56.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 23.8 mt-10 -73.02 -29.61 63.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.01 18.87 21.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 21' ' ' PRO . 9.3 tp -78.79 161.42 26.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.575 ' H ' HD12 ' A' ' 29' ' ' LEU . 22.4 t0 -125.37 87.92 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.947 HG23 ' HG ' ' A' ' 62' ' ' LEU . 6.5 p -54.72 -27.75 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.39 -0.61 20.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -83.96 -45.19 13.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.805 ' CE2' HD21 ' A' ' 62' ' ' LEU . 58.9 m-85 -53.78 131.72 40.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 36' ' ' ALA . 8.6 mm-40 -100.81 0.36 38.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.62 168.05 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.96 159.81 41.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -74.63 -11.24 60.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -115.36 20.51 14.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 116' ' ' GLY . 47.9 tp -39.58 -55.64 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' HB2' ' CA ' ' A' ' 68' ' ' GLY . 0.1 OUTLIER -105.19 51.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.43 129.47 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.41 41.66 48.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.0 m -115.1 120.78 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -103.06 102.55 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.477 ' CG2' HG12 ' A' ' 82' ' ' ILE . 3.7 mt -108.02 157.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.588 ' HD1' HG13 ' A' ' 81' ' ' VAL . 16.5 t80 -123.89 124.01 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.812 HD23 ' HB ' ' A' ' 82' ' ' ILE . 85.9 mt -88.57 145.5 25.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' CB ' ' OD2' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -164.11 149.25 10.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.36 59.71 8.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.571 1.17 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.507 ' CE2' HD23 ' A' ' 59' ' ' LEU . 18.7 m-85 -147.67 -84.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER 52.49 102.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.72 -152.3 16.88 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' CD ' ' HB3' ' A' ' 27' ' ' GLU . 58.7 mtt180 -48.09 -60.08 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.304 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 26' ' ' LEU . 16.1 mttt -42.62 -44.25 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.549 HD12 HD13 ' A' ' 48' ' ' LEU . 53.9 tp -66.85 -69.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 56' ' ' LEU . 19.2 t70 -37.8 -47.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -47.95 -64.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.788 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -50.77 -45.76 59.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -52.82 -39.04 62.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -79.8 -35.68 38.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.947 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -65.57 -67.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.8 HG13 HD21 ' A' ' 109' ' ' LEU . 13.7 mt -40.85 -54.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.55 -41.92 86.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' LEU . 32.5 t -64.46 -15.62 61.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.447 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -109.05 -1.88 31.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.88 -12.29 53.73 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.415 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -54.25 159.88 4.86 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 71' ' ' PHE . 7.2 t -107.09 110.53 32.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.776 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.449 ' HD2' HD12 ' A' ' 48' ' ' LEU . 1.3 ttp180 -82.93 96.45 8.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.458 ' CD1' HG12 ' A' ' 69' ' ' VAL . 1.3 m-30 -75.3 149.25 38.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -114.63 -3.87 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -118.82 144.32 46.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.649 HD12 ' CG ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -88.69 117.82 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.76 164.16 38.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.35 -18.43 17.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -41.14 98.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.572 HG11 HG22 ' A' ' 81' ' ' VAL . 74.4 t -51.66 132.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.571 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 43.9 p -105.22 -17.38 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.608 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 0.5 OUTLIER -161.82 142.94 10.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.648 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.675 HG23 ' HB2' ' A' ' 101' ' ' PRO . 42.7 t -120.7 106.89 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.812 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.7 mm -75.26 101.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.579 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 60.5 t -98.41 125.99 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.77 -52.9 2.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -120.38 -43.94 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -174.88 154.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.502 ' OD2' ' CB ' ' A' ' 49' ' ' CYS . 4.2 t0 -120.9 112.31 18.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.436 ' OD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.5 m-20 -75.26 -56.9 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -56.98 5.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -40.27 -61.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -41.14 -47.69 3.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -69.44 -52.32 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.649 ' CG ' HD12 ' A' ' 74' ' ' LEU . 45.5 t80 -55.05 -25.86 33.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -72.39 -12.32 61.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -117.65 12.42 14.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -111.26 -76.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.8 m -97.72 157.75 15.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.66 98.29 10.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -165.48 157.88 15.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.586 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -126.47 90.25 50.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.675 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 139.57 24.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.608 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 37.8 m80 -61.74 99.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.585 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -89.49 116.8 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 121' ' ' GLU . 35.3 m -144.59 176.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.6 149.6 17.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.103 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.928 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -41.73 -37.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.595 ' H ' HD23 ' A' ' 23' ' ' LEU . 11.4 tttt -39.5 -46.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.598 ' CH2' ' OE2' ' A' ' 121' ' ' GLU . 53.2 t90 -54.19 -66.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 107.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.8 HD21 HG13 ' A' ' 63' ' ' ILE . 8.2 tp -39.97 -53.72 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' SER . 30.6 mt -46.92 -60.38 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.4 mm-40 -55.1 -38.09 67.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.58 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 57.0 m -59.26 -58.27 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.27 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.555 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.6 m-85 -67.36 -24.28 65.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 110' ' ' LEU . 18.5 t -76.4 -39.65 53.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.847 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.7 mmtt -82.18 -25.45 34.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.493 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 97.83 -14.17 63.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.705 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 3.7 p90 -138.63 140.26 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 70.3 mtp -52.83 137.33 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.847 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.7 mt -110.5 175.1 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.481 ' HB2' ' CG ' ' A' ' 123' ' ' PRO . 50.7 m -56.73 139.07 51.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.598 ' OE2' ' CH2' ' A' ' 108' ' ' TRP . 2.9 mt-10 -96.06 -10.05 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.631 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 15.0 mt-10 -70.39 -43.85 17.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.96 3.68 5.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.468 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 69.9 m-85 -137.05 33.24 2.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 5.7 mm -73.62 138.67 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.579 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 7.9 t60 -100.28 105.78 17.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.589 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.875 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.6 p -102.99 165.29 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.032 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -59.5 -57.6 12.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.43 -22.61 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -121.69 61.32 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.903 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -93.21 -46.26 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.29 -28.73 65.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -111.53 41.93 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.875 HD13 ' HA ' ' A' ' 21' ' ' PRO . 25.5 tp -100.31 154.8 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.527 ' H ' HD12 ' A' ' 29' ' ' LEU . 63.2 t0 -118.91 83.3 2.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.991 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -52.74 -23.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.03 20.5 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -105.8 -42.8 5.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.653 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 79.4 m-85 -55.26 121.01 7.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -79.22 -1.91 38.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -43.26 164.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 158.8 42.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.567 1.825 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.27 1.46 21.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.87 19.54 7.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 66' ' ' GLY . 45.9 tp -40.97 -59.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -100.91 63.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.14 123.36 25.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.32 37.54 87.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.9 m -123.64 109.72 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -88.62 126.01 35.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.626 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.3 mp -125.9 148.2 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.697 ' HB2' HG21 ' A' ' 78' ' ' VAL . 82.5 t80 -114.53 119.07 35.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' ' 59' ' ' LEU . 44.5 mt -82.11 121.88 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.805 ' SG ' HG13 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -128.6 148.87 50.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 59.29 37.95 92.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.854 ' O ' HD22 ' A' ' 56' ' ' LEU . 20.0 m-85 -137.48 119.21 15.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.98 -66.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.13 -170.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -38.85 -36.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.903 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.5 mttt -41.73 -50.79 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.854 HD22 ' O ' ' A' ' 51' ' ' PHE . 10.6 tp -64.79 -59.88 3.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' LEU . 12.6 t70 -39.17 -51.1 1.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -51.01 -70.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.727 ' HB3' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -40.49 -58.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -39.58 -44.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HB3' HG11 ' A' ' 31' ' ' VAL . 40.9 mtt-85 -73.7 -43.13 60.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.991 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.4 mp -59.56 -67.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 62' ' ' LEU . 36.8 mt -38.33 -56.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -44.89 87.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' LEU . 40.5 t -59.37 -31.78 69.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -83.65 -19.78 61.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.67 -13.02 58.07 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.401 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -64.68 161.52 39.49 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 t -107.8 121.87 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -89.56 108.94 19.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.633 ' CZ ' ' CB ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -85.86 115.46 23.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 72' ' ' ASN . 8.6 p-10 -73.67 -8.63 56.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -128.8 138.29 51.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.831 HD21 HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -76.28 120.64 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -150.47 -174.0 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 17.6 mt-10 -82.73 8.47 12.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.633 ' CB ' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -88.09 -47.91 8.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.697 HG21 ' HB2' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -62.04 137.96 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.496 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 69.7 p -111.31 -11.23 14.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.626 ' HB2' HG23 ' A' ' 46' ' ' ILE . 2.0 m80 -138.63 147.68 43.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.805 HG13 ' SG ' ' A' ' 49' ' ' CYS . 24.4 t -128.93 94.3 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.458 HG13 HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -76.82 99.99 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.51 ' CG2' HG13 ' A' ' 103' ' ' VAL . 56.8 t -91.43 127.08 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.46 -52.54 1.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.88 -49.93 3.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.412 ' C ' HG13 ' A' ' 83' ' ' VAL . 7.4 p90 -171.64 170.31 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -122.16 83.38 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -94.33 -27.54 16.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -82.69 -51.74 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.831 HD23 HD21 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -51.46 -21.32 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -72.15 -36.55 69.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.76 -42.43 95.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CD2' HD12 ' A' ' 74' ' ' LEU . 36.7 t80 -61.71 -20.37 63.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.708 ' CH2' HD11 ' A' ' 90' ' ' LEU . 4.9 m0 -76.9 -3.86 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.05 11.36 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -118.62 -79.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.547 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 58.7 m -96.52 158.54 15.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.21 98.65 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.428 ' NE2' ' O ' ' A' ' 78' ' ' VAL . 23.4 t60 -161.13 144.97 13.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.27 89.15 53.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.424 ' HB3' ' HE2' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -74.98 168.32 25.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -85.69 101.5 12.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.559 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.51 HG13 ' CG2' ' A' ' 83' ' ' VAL . 54.1 t -85.52 95.6 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.586 HG11 ' HB3' ' A' ' 121' ' ' GLU . 26.7 m -125.52 178.0 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.04 148.14 17.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 1.032 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -41.43 -37.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.539 ' N ' HD23 ' A' ' 23' ' ' LEU . 10.1 tttm -39.81 -46.79 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 57.1 t90 -54.73 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 41' ' ' LEU . 21.2 tp -39.51 -58.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 70.6 mt -41.61 -55.21 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.475 ' HB2' HD12 ' A' ' 119' ' ' LEU . 2.0 mm-40 -59.98 -35.68 75.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.511 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 46.9 m -58.71 -52.94 63.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.74 ' CD2' HD23 ' A' ' 62' ' ' LEU . 35.0 m-85 -71.67 -25.75 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.0 t -73.82 -47.45 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.78 ' HG3' HD11 ' A' ' 119' ' ' LEU . 3.7 mmtt -74.52 -20.98 59.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.41 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 94.84 -13.34 67.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.554 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 10.3 p90 -137.43 166.39 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.5 mtp -73.66 135.65 43.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.78 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.4 mt -109.03 176.73 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.2 m -63.9 145.04 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.586 ' HB3' HG11 ' A' ' 104' ' ' VAL . 5.5 mp0 -96.51 -22.12 17.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 33.1 mt-10 -56.81 -43.7 99.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.2 5.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.511 ' O ' HG12 ' A' ' 104' ' ' VAL . 88.6 m-85 -139.19 41.71 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 25.8 mm -87.48 141.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -104.78 106.87 17.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.034 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HB3' HD23 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -122.56 156.59 33.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.936 ' HG ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -54.89 -44.95 74.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -54.88 -18.04 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -131.57 26.22 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.936 HD12 ' HG ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -55.48 -46.56 76.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 24.8 mt-10 -58.45 -37.2 74.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -111.26 42.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -104.86 121.99 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.792 ' N ' HD22 ' A' ' 29' ' ' LEU . 33.0 t0 -73.69 89.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.96 HG23 ' HG ' ' A' ' 62' ' ' LEU . 3.8 p -62.17 -16.53 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.25 -8.99 58.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.465 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -73.89 -48.22 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 1.007 ' CE2' HD21 ' A' ' 62' ' ' LEU . 70.8 m-85 -46.26 119.96 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ALA . 12.6 mm-40 -92.07 0.4 57.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.22 169.2 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.04 162.9 36.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.23 -0.75 29.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -128.73 23.9 5.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 116' ' ' GLY . 35.7 tp -40.6 -64.89 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.65 HD21 ' CD2' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -89.98 54.93 2.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.34 120.02 18.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.83 32.84 70.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.6 m -129.1 105.02 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.484 ' HA ' HG12 ' A' ' 69' ' ' VAL . 29.9 mtm180 -89.41 108.98 19.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.608 HG21 HG13 ' A' ' 82' ' ' ILE . 1.7 mp -99.71 160.73 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.816 ' CE2' HD22 ' A' ' 74' ' ' LEU . 40.7 t80 -130.43 123.39 29.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.65 ' CD2' HD13 ' A' ' 59' ' ' LEU . 95.4 mt -84.99 133.02 34.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -147.4 110.22 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.272 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . 122.29 -68.83 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.537 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 33.0 m-85 -37.13 134.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.79 84.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.56 -100.05 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.461 ' CD ' ' HB3' ' A' ' 27' ' ' GLU . 78.8 mtt180 -97.11 -57.35 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.259 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.656 ' HA ' HD22 ' A' ' 26' ' ' LEU . 1.5 mttt -41.7 -36.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.614 ' CD1' HD13 ' A' ' 48' ' ' LEU . 24.7 tp -71.01 -70.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -38.27 -35.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 70.4 mmtt -63.86 -64.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.65 HD13 ' CD2' ' A' ' 48' ' ' LEU . 18.2 mt -45.79 -39.57 8.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 23.5 mtp180 -52.7 -34.87 54.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -85.8 -36.46 20.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.007 HD21 ' CE2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -68.25 -67.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.763 HG21 ' O ' ' A' ' 69' ' ' VAL . 21.8 mt -43.01 -50.88 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -61.25 -45.47 94.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 t -56.83 -36.32 69.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -84.42 -2.52 89.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.61 -13.52 51.85 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.425 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -57.6 171.06 3.45 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.763 ' O ' HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -100.21 167.75 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.52 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -137.5 87.58 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.436 ' HD1' HG13 ' A' ' 69' ' ' VAL . 4.3 m-85 -82.82 158.23 22.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.06 -7.64 11.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.48 ' C ' ' CE1' ' A' ' 47' ' ' TYR . 34.2 mt-30 -123.07 149.47 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.816 HD22 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.15 114.74 25.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.536 ' ND2' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -138.89 -174.87 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.01 -33.95 44.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.69 -19.13 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.536 HG23 ' ND2' ' A' ' 75' ' ' ASN . 60.2 t -67.9 132.33 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.543 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.5 p -112.99 -9.23 13.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 79' ' ' THR . 35.3 m80 -159.26 143.43 15.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.629 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.636 HG11 HD12 ' A' ' 90' ' ' LEU . 40.7 t -125.39 97.56 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.659 HD13 HG23 ' A' ' 104' ' ' VAL . 2.9 mm -82.3 102.95 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.499 ' CG2' HG13 ' A' ' 103' ' ' VAL . 19.9 t -87.5 150.81 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -116.2 -31.79 1.8 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.25 -56.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -163.81 163.97 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -119.38 83.71 2.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -93.64 -24.85 17.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' GLN . 3.4 tp10 -74.68 -42.52 58.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.664 ' CD2' ' CZ2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -45.34 -42.78 10.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -49.83 -38.01 33.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' GLU . 2.2 mm-40 -65.44 -43.78 89.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 18.5 t80 -65.23 -26.59 68.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.664 ' CZ2' ' CD2' ' A' ' 90' ' ' LEU . 9.7 m0 -77.17 -13.46 59.94 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -101.59 4.25 40.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -115.4 -75.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 64.1 m -102.55 158.02 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.68 99.07 10.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -160.76 144.08 13.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.601 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.83 90.23 31.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 166.57 28.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -87.86 101.91 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.499 HG13 ' CG2' ' A' ' 83' ' ' VAL . 29.0 t -87.47 94.59 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.659 HG23 HD13 ' A' ' 82' ' ' ILE . 27.2 m -123.73 177.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 107' ' ' LYS . . . -104.09 149.07 17.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.789 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -41.36 -31.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.515 ' N ' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -41.66 -47.03 3.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 42.0 t90 -57.78 -63.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.671 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -39.74 -53.91 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.524 HD23 HD22 ' A' ' 62' ' ' LEU . 30.3 mt -48.91 -64.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.0 mm-40 -47.69 -40.04 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.23 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 33.6 m -57.66 -48.67 78.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.671 ' CE2' HD22 ' A' ' 109' ' ' LEU . 31.0 m-85 -72.88 -33.96 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -68.92 -38.45 79.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.745 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.2 mmtt -82.55 -25.66 33.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 96.49 -13.23 65.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.749 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.4 p90 -138.6 152.22 47.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 89.1 mtp -61.74 140.75 58.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.749 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -115.89 177.46 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.46 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 44.9 m -64.17 145.6 55.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.571 ' HB3' HG11 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -95.44 -10.05 30.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.656 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 30.7 mt-10 -65.43 -42.3 56.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.0 3.01 6.0 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.632 ' O ' HG12 ' A' ' 104' ' ' VAL . 98.7 m-85 -142.73 48.02 1.54 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 30.2 mm -90.73 142.92 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.472 ' HB3' HG12 ' A' ' 103' ' ' VAL . 51.1 t60 -105.58 107.64 18.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.594 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.997 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.647 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 p -102.6 -176.3 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.844 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -78.93 -48.15 15.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.72 1.26 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' ASN . 3.9 t30 -115.04 -7.04 12.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' A' ' 29' ' ' LEU . 2.0 mt -39.63 -40.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.88 -47.59 74.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ASN . 11.3 m-20 -94.52 34.46 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 21' ' ' PRO . 15.1 tp -102.92 156.14 17.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.877 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 40.8 t0 -118.6 105.45 11.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.984 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -73.8 -22.93 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.45 20.02 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.049 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.877 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -106.86 -43.18 4.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 93.4 m-85 -50.3 128.65 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.427 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 4.2 tp-100 -84.76 -10.33 57.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HB2' ' HA2' ' A' ' 116' ' ' GLY . . . -41.35 162.9 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.0 159.1 41.75 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 65' ' ' SER . 12.3 mt-10 -74.11 -11.38 60.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.32 23.47 13.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.508 HD22 ' HB1' ' A' ' 36' ' ' ALA . 25.7 tp -43.29 -63.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.727 HD11 HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -100.78 44.96 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -46.56 128.48 10.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.61 42.74 20.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 72.7 m -113.31 112.78 24.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.569 ' HG2' ' CE1' ' A' ' 71' ' ' PHE . 9.2 mtm-85 -93.81 105.45 17.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.563 HG21 ' CG1' ' A' ' 82' ' ' ILE . 4.0 mt -108.98 148.92 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.824 ' CD1' HG13 ' A' ' 81' ' ' VAL . 3.1 t80 -110.9 130.57 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.953 ' CD2' HD13 ' A' ' 59' ' ' LEU . 66.7 mt -90.97 138.19 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' CG ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -148.58 106.12 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 108.289 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 100.9 55.94 0.91 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 44.3 m-85 -156.75 131.16 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.0 p -140.38 -57.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.69 -137.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -64.42 -39.22 93.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -40.51 -44.79 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 51' ' ' PHE . 3.4 tp -68.89 -69.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -39.22 -40.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 11.5 mmtt -59.79 -68.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.953 HD13 ' CD2' ' A' ' 48' ' ' LEU . 52.2 mt -48.44 -39.28 22.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -56.44 -31.88 64.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' CB ' ' A' ' 65' ' ' SER . 94.6 mtt180 -94.27 -34.08 12.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.984 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -67.64 -61.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' A' ' 59' ' ' LEU . 3.5 mt -48.44 -47.76 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -43.26 80.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 13.3 t -50.26 -41.41 50.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -81.79 6.1 67.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.6 -10.05 57.07 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.87 165.69 11.14 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.4 t -118.06 112.33 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.634 ' HD2' HD12 ' A' ' 48' ' ' LEU . 3.7 ttp180 -76.56 122.26 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -103.26 111.09 23.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.946 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -69.11 -18.2 63.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -120.83 162.45 19.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -110.56 159.71 17.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 74' ' ' LEU . 5.2 p30 163.19 -175.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.75 86.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 173.54 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.666 HG11 HG22 ' A' ' 81' ' ' VAL . 77.4 t -56.12 126.15 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.578 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 50.6 p -98.82 -17.65 18.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -162.29 143.96 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.824 HG13 ' CD1' ' A' ' 47' ' ' TYR . 26.2 t -122.01 103.6 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.563 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.4 mm -74.28 99.72 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 90.8 t -93.69 134.94 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.72 -55.85 1.6 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 5.2 m-20 -117.3 -47.74 2.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 14.7 p90 -163.49 179.09 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.415 ' CG ' ' SG ' ' A' ' 49' ' ' CYS . 7.8 t0 -150.82 115.66 5.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.55 -41.23 11.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.3 tt0 -52.63 -55.9 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.681 HD12 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -40.7 -62.8 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' LEU . 32.4 mttm -38.32 -42.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.8 mm-40 -71.26 -47.53 56.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.543 ' CD2' HD22 ' A' ' 74' ' ' LEU . 59.8 t80 -60.11 -20.11 56.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.579 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 6.5 m0 -78.73 -15.76 58.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -116.51 11.81 14.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.01 -75.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.1 m -104.9 157.94 16.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.78 97.14 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -172.4 151.13 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.87 96.17 38.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.74 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 141.15 26.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.586 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 38.9 m80 -62.85 100.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.577 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -88.67 113.78 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 121' ' ' GLU . 27.4 m -143.59 179.42 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -105.76 147.08 16.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.558 1.161 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.844 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.31 -34.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -43.28 -46.86 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.58 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 38.1 t90 -53.88 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.727 HD11 HD11 ' A' ' 41' ' ' LEU . 16.6 tp -40.23 -55.11 2.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.6 mt -45.96 -52.27 11.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.449 ' HB2' HD12 ' A' ' 119' ' ' LEU . 3.4 mm-40 -62.14 -34.13 75.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.56 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 56.1 m -59.4 -57.64 12.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.518 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 49.5 m-85 -68.56 -35.09 76.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 t -59.84 -45.96 90.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.751 ' HG3' HD11 ' A' ' 119' ' ' LEU . 1.6 mmtt -79.34 -25.34 42.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.532 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . 100.78 -15.79 58.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.609 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 14.0 p90 -132.32 159.49 39.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 92.3 mtp -71.03 130.16 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.751 HD11 ' HG3' ' A' ' 115' ' ' LYS . 2.4 mt -102.36 176.08 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 19.7 m -64.42 144.06 57.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.582 ' HB3' HG11 ' A' ' 104' ' ' VAL . 2.3 mp0 -95.46 -20.49 19.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.617 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 18.1 mt-10 -57.09 -45.01 99.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.236 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.01 2.77 6.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.545 ' O ' HG12 ' A' ' 104' ' ' VAL . 75.3 m-85 -138.76 38.92 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.488 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 16.1 mm -81.35 139.57 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.573 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 8.0 t60 -102.97 106.69 17.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.019 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.2 p -104.72 172.97 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.979 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -77.58 -58.58 3.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.84 -22.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -125.77 39.88 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.558 HD13 HD21 ' A' ' 110' ' ' LEU . 3.6 tp -85.31 -26.65 26.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.39 -27.09 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -119.08 22.21 11.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.845 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.79 115.09 16.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.728 ' N ' HD22 ' A' ' 29' ' ' LEU . 62.7 t0 -66.24 82.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.866 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.5 p -53.85 -32.24 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -6.91 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -76.01 -46.1 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.707 ' CE2' HD21 ' A' ' 29' ' ' LEU . 65.7 m-85 -52.34 123.23 10.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -92.79 5.34 51.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.621 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.46 168.32 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.621 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.01 166.01 30.09 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 65' ' ' SER . 2.7 mt-10 -82.08 4.31 23.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -133.97 21.03 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 116' ' ' GLY . 51.8 tp -40.26 -66.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -93.87 48.95 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.95 129.02 40.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.47 41.31 48.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.7 m -123.65 104.34 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -86.63 117.4 25.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.539 HG21 ' CG1' ' A' ' 82' ' ' ILE . 2.3 mt -115.25 157.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.748 ' CD2' HD22 ' A' ' 74' ' ' LEU . 72.6 t80 -115.12 129.0 56.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.892 ' CD2' HD13 ' A' ' 59' ' ' LEU . 95.2 mt -93.03 119.18 32.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.8 t -132.02 120.67 22.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.93 36.46 7.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 20.9 m-85 -138.46 127.75 24.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 p -144.02 -48.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.37 -136.81 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -35.88 81.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 51' ' ' PHE . 2.6 mttt -44.56 -50.44 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.64 ' CD1' HD13 ' A' ' 48' ' ' LEU . 3.5 tp -63.91 -68.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.7 t70 -40.2 -42.14 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' ARG . 67.3 mmtt -59.55 -70.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.892 HD13 ' CD2' ' A' ' 48' ' ' LEU . 21.1 mt -44.91 -47.92 11.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.406 ' HA ' ' CD ' ' A' ' 70' ' ' ARG . 47.0 mtp180 -46.31 -28.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' LYS . 77.9 mtt180 -89.2 -30.4 18.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.893 HD23 ' CD2' ' A' ' 113' ' ' PHE . 1.0 OUTLIER -76.04 -68.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.819 HD11 HD21 ' A' ' 48' ' ' LEU . 5.3 mt -42.93 -36.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -78.06 -45.81 22.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 14.0 t -57.19 -38.56 73.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -79.89 -2.49 88.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.93 -10.74 59.47 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.64 164.7 34.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 t -116.96 117.79 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.682 ' HB3' HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -89.48 127.0 35.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE2' ' HB2' ' A' ' 77' ' ' ASP . 1.9 m-85 -97.73 125.38 42.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -75.18 -20.91 59.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -125.45 141.68 51.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -71.4 128.32 35.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -153.23 179.45 8.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' CD ' ' HG ' ' A' ' 97' ' ' SER . 23.4 mt-10 -81.01 7.55 10.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 14.4 m-20 -89.36 -45.6 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -62.45 140.04 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 77.3 p -106.34 -18.21 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.511 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.3 m80 -140.56 146.43 38.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 47' ' ' TYR . 25.1 t -120.35 116.62 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.539 ' CG1' HG21 ' A' ' 46' ' ' ILE . 2.5 mm -95.69 105.39 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.537 ' CG2' HG13 ' A' ' 103' ' ' VAL . 23.3 t -83.76 133.41 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.75 -24.82 6.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.558 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 7.9 t0 -144.01 -48.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 12.0 p90 -164.16 140.29 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 4.7 p-10 -93.36 80.31 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 91' ' ' LYS . 6.1 m-20 -93.27 -53.29 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -38.35 -46.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.684 HD22 ' CZ2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -47.11 -50.74 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' ASP . 80.6 mttt -41.4 -37.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -44.6 60.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LEU . 42.6 t80 -67.36 -17.4 64.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.684 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 5.2 m0 -83.2 -21.85 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.53 5.73 50.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -113.47 -87.74 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.418 ' HG ' ' CD ' ' A' ' 76' ' ' GLU . 58.0 m -95.36 158.65 15.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.29 98.36 10.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -162.08 139.21 8.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 95.09 47.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.435 ' HD2' HD21 ' A' ' 90' ' ' LEU . 18.2 Cg_endo -74.98 167.1 27.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -82.76 102.18 11.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.554 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.537 HG13 ' CG2' ' A' ' 83' ' ' VAL . 35.8 t -87.02 107.92 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.695 HG11 ' HB3' ' A' ' 121' ' ' GLU . 35.4 m -137.87 178.65 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.67 145.37 16.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.979 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.22 -33.48 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.765 ' H ' HD23 ' A' ' 23' ' ' LEU . 10.5 tttt -43.37 -46.47 6.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.53 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 30.2 t90 -53.65 -64.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.029 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 41' ' ' LEU . 17.4 tp -45.54 -55.15 6.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.558 HD21 HD13 ' A' ' 26' ' ' LEU . 89.3 mt -42.64 -60.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.3 mm-40 -53.18 -44.49 67.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 63.6 m -51.61 -54.94 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.893 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -67.86 -6.03 19.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.517 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.86 -41.95 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -87.04 -25.8 24.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.632 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 98.11 -9.06 63.26 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.733 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.2 p90 -132.82 142.49 49.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 73.8 mtp -57.85 142.73 44.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.733 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.3 OUTLIER -114.88 176.36 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.45 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 71.1 m -63.62 142.58 58.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.695 ' HB3' HG11 ' A' ' 104' ' ' VAL . 3.0 mt-10 -96.08 -11.92 25.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.5 mt-10 -65.94 -43.73 59.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -75.03 3.01 6.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.53 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 74.4 m-85 -135.27 35.55 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 15.9 mm -81.04 143.05 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -112.23 107.68 16.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.4 p -127.14 158.88 35.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.141 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -51.25 -63.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.3 -51.45 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -93.38 60.96 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.508 HD12 HD23 ' A' ' 29' ' ' LEU . 16.3 tp -97.21 -31.8 12.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 64.1 mt-10 -75.37 -42.79 53.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -78.37 -14.28 59.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.735 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.9 tp -57.84 160.33 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.578 ' H ' HD12 ' A' ' 29' ' ' LEU . 34.8 t0 -120.29 89.98 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.962 HG23 ' HG ' ' A' ' 62' ' ' LEU . 5.4 p -53.65 -22.7 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.421 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -90.34 20.51 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.06 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -106.93 -43.33 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.735 ' CE2' HD11 ' A' ' 29' ' ' LEU . 93.4 m-85 -49.64 128.36 17.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -87.88 -5.92 58.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.548 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -43.62 165.38 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.538 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.98 153.33 41.79 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -69.24 -7.43 36.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -117.75 19.49 13.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.676 HD23 ' CD1' ' A' ' 113' ' ' PHE . 30.0 tp -39.91 -64.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -98.68 48.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.77 129.02 35.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.9 40.64 27.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.2 m -119.49 105.5 11.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.7 mtm-85 -86.67 117.95 25.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.6 mt -118.35 150.99 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.999 ' CD2' HD12 ' A' ' 74' ' ' LEU . 79.0 t80 -112.48 132.9 54.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.083 HD22 HD13 ' A' ' 59' ' ' LEU . 97.5 mt -96.64 114.76 26.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 3.0 t -121.42 116.69 25.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.409 ' CA ' ' OD2' ' A' ' 85' ' ' ASP . . . 91.62 45.05 4.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -140.58 142.07 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -150.56 -72.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.24 -161.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -39.03 -37.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HG2' ' CG ' ' A' ' 27' ' ' GLU . 3.7 mttt -44.56 -50.08 9.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ASP . 4.3 tp -63.03 -70.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.7 t70 -38.69 -52.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 29.5 mmtt -42.81 -61.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.083 HD13 HD22 ' A' ' 48' ' ' LEU . 38.9 mt -56.82 -50.02 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -45.83 -25.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -93.58 -34.81 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.99 HD23 ' CD2' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -70.35 -65.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.818 HD11 HD21 ' A' ' 48' ' ' LEU . 3.6 mt -44.2 -35.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -78.79 -45.05 21.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -48.45 69.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -71.99 -10.4 72.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.67 -20.62 48.68 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -50.52 160.15 1.46 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 t -112.92 109.96 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 6.0 ttp180 -78.0 119.49 21.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.695 ' CE2' ' CB ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER -96.74 116.51 29.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.58 -27.21 67.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -127.33 136.23 51.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.999 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -74.57 144.1 44.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.691 HD22 ' HE2' ' A' ' 71' ' ' PHE . 9.7 p30 176.0 -174.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -65.53 72.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.695 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 1.6 m-20 -165.83 -48.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -65.31 104.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 45' ' ' ARG . 71.3 p -74.58 -14.42 60.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.822 ' O ' HG23 ' A' ' 78' ' ' VAL . 6.8 m80 -145.5 140.55 27.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.575 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.955 HG11 ' CD2' ' A' ' 90' ' ' LEU . 79.6 t -112.49 127.27 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.597 HD13 HG23 ' A' ' 104' ' ' VAL . 4.7 mm -107.88 103.01 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 87' ' ' ASP . 68.9 t -93.41 119.54 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.91 -34.28 6.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.409 ' OD2' ' CA ' ' A' ' 50' ' ' GLY . 5.7 m-20 -125.65 -56.36 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.694 ' O ' HG13 ' A' ' 83' ' ' VAL . 17.1 m-85 -146.92 170.97 15.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.807 ' HB3' HG21 ' A' ' 83' ' ' VAL . 4.6 p30 -120.35 49.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.56 -64.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -41.39 -51.36 3.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.955 ' CD2' HG11 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -38.97 -47.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -55.79 -53.37 57.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -54.77 -49.88 69.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 75' ' ' ASN . 35.2 t80 -56.11 -36.94 68.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.436 ' CD2' HD12 ' A' ' 90' ' ' LEU . 6.5 m0 -70.29 -12.97 61.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -106.38 7.56 31.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -116.75 -73.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -107.09 158.21 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.1 98.44 10.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -159.14 151.11 20.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.61 89.41 52.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.595 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.03 -172.82 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -104.72 104.06 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 90' ' ' LEU . 46.0 t -84.93 99.56 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.597 HG23 HD13 ' A' ' 82' ' ' ILE . 34.1 m -132.25 178.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.68 148.1 17.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 1.141 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.1 -36.88 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.709 ' H ' HD23 ' A' ' 23' ' ' LEU . 13.5 tttt -40.22 -48.49 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 44.8 t90 -55.2 -62.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.01 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.604 HD11 HG13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -39.67 -52.28 2.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.05 -62.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.454 ' HB2' HD12 ' A' ' 119' ' ' LEU . 2.1 mm-40 -47.53 -40.62 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 32.9 m -52.52 -49.57 64.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.99 ' CD2' HD23 ' A' ' 62' ' ' LEU . 56.9 m-85 -72.71 -47.93 43.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -55.28 -38.63 68.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.041 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.78 ' HG3' HD11 ' A' ' 119' ' ' LEU . 5.2 mmtt -80.31 -24.98 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.52 -10.85 73.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.578 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 9.2 p90 -140.88 160.46 40.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 0.765 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 82.5 mtp -68.56 132.49 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.78 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.6 mt -106.83 177.44 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.44 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 66.2 m -67.87 145.34 54.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.587 ' CB ' HG11 ' A' ' 104' ' ' VAL . 2.0 mp0 -95.89 -24.14 16.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.614 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.7 mt-10 -54.41 -44.84 99.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.98 2.31 6.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 69.1 m-85 -136.35 37.52 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 22.3 mm -82.32 151.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -111.87 106.67 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.591 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.966 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.683 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' ASN . 77.9 p -120.74 151.91 38.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.042 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -48.17 -53.09 18.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.8 -19.56 4.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 3.0 m-20 -125.22 52.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.138 HD23 HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -81.08 -33.99 32.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' CB ' ' HD2' ' A' ' 54' ' ' ARG . 16.3 mt-10 -75.52 -32.74 60.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -107.14 32.6 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.138 HD23 HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -105.79 149.24 26.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.667 ' N ' HD12 ' A' ' 29' ' ' LEU . 15.8 t0 -111.29 89.47 3.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.916 HG23 ' HG ' ' A' ' 62' ' ' LEU . 1.9 p -53.1 -33.55 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -6.62 30.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -76.33 -47.17 24.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.726 ' CE2' HD21 ' A' ' 62' ' ' LEU . 66.6 m-85 -46.79 123.96 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -86.14 0.47 53.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.658 ' HB2' ' HA ' ' A' ' 113' ' ' PHE . . . -42.26 162.91 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.02 164.71 32.78 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.94 7.58 15.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.45 22.6 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 116' ' ' GLY . 52.4 tp -44.06 -62.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.443 HD11 HD21 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -101.72 44.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.8 129.68 14.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.79 42.81 29.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.58 1.175 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 41' ' ' LEU . 61.9 m -116.13 107.28 14.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 4.3 mtt-85 -88.32 108.78 19.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.455 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.2 mt -112.47 157.84 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.939 ' HB3' HG22 ' A' ' 81' ' ' VAL . 4.8 t80 -119.62 123.83 44.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.904 HD22 HD23 ' A' ' 59' ' ' LEU . 96.1 mt -92.58 133.67 35.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.8 131.75 9.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.41 -5.29 38.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.75 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 20.5 m-85 -108.58 -176.71 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 51' ' ' PHE . 2.8 p 155.45 115.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.36 -93.4 0.83 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HD2' ' CB ' ' A' ' 27' ' ' GLU . 4.2 mtm180 -98.12 -66.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.22 -40.96 3.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.959 HD13 ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -69.15 -70.99 0.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.959 ' N ' HD13 ' A' ' 56' ' ' LEU . 1.2 m-20 -38.9 -47.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' CB ' HD22 ' A' ' 26' ' ' LEU . 9.5 mmtt -40.85 -63.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.904 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.67 -55.21 20.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.448 ' CG ' ' HD3' ' A' ' 70' ' ' ARG . 7.3 mtp180 -39.32 -39.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -77.45 -42.72 34.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.916 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -59.19 -65.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' LEU . 9.3 mt -38.93 -56.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -58.6 -42.95 89.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' LEU . 8.2 t -60.19 -15.39 23.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.09 1.88 28.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.18 -14.09 51.51 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.84 158.15 5.19 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.44 116.26 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HD2' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.47 108.21 13.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -84.73 120.16 26.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -74.39 -9.62 58.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 2.5 mt-30 -134.91 174.3 10.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.608 HD22 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -116.46 162.95 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 5.5 p30 155.78 -175.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.86 91.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 169.06 -33.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG11 ' CG2' ' A' ' 81' ' ' VAL . 55.3 t -57.35 114.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.539 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 43.8 p -83.7 -20.36 33.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.42 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 79' ' ' THR . 8.0 m80 -159.91 163.46 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.582 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.939 HG22 ' HB3' ' A' ' 47' ' ' TYR . 39.8 t -139.51 100.7 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.758 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.4 mm -76.19 103.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.746 ' CG2' HG13 ' A' ' 103' ' ' VAL . 76.6 t -95.85 135.59 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.532 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -102.76 -13.51 29.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -160.47 -44.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 6.3 p90 -172.48 174.75 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.643 ' CG ' HD23 ' A' ' 90' ' ' LEU . 8.4 t0 -152.02 99.72 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.1 m-20 -72.27 -49.06 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.3 tm-20 -37.66 -50.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.705 HD12 ' CE2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -37.76 -60.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -42.81 -54.09 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -57.53 -49.34 76.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.608 ' CD2' HD22 ' A' ' 74' ' ' LEU . 22.2 t80 -60.55 -24.78 65.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.705 ' CE2' HD12 ' A' ' 90' ' ' LEU . 11.7 m0 -87.93 -10.64 49.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -105.67 12.37 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -137.46 -60.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.572 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 69.3 m -99.42 157.59 16.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -108.41 99.9 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -168.34 153.96 6.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.581 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -125.46 91.18 49.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.646 ' HG2' HD11 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -74.92 159.74 41.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -82.14 102.21 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.746 HG13 ' CG2' ' A' ' 83' ' ' VAL . 79.1 t -90.25 95.25 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.673 HG21 ' OE1' ' A' ' 121' ' ' GLU . 27.3 m -121.4 178.35 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.19 148.86 17.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 1.042 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -42.74 -36.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.74 ' N ' HD23 ' A' ' 23' ' ' LEU . 7.7 tttt -39.01 -47.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.515 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 45.0 t90 -58.81 -61.84 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.023 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -41.79 -54.51 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.446 HD23 HD22 ' A' ' 62' ' ' LEU . 42.7 mt -48.69 -65.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.488 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.2 mm-40 -43.49 -48.5 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.504 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 71.1 m -50.9 -58.14 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 108.284 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.824 ' CD2' HD23 ' A' ' 62' ' ' LEU . 34.7 m-85 -65.93 -7.48 16.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -89.29 -41.17 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -89.44 -25.88 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.709 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 97.88 -11.95 64.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.802 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 6.0 p90 -128.77 144.72 51.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.2 mtp -60.27 140.34 57.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.802 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -113.31 172.15 7.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.476 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 18.5 m -56.99 141.55 45.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.673 ' OE1' HG21 ' A' ' 104' ' ' VAL . 5.2 mm-40 -95.81 -10.58 28.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 30.3 mt-10 -67.85 -42.89 35.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.1 Cg_endo -75.07 3.63 5.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.536 1.809 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.515 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 96.2 m-85 -139.21 40.95 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 29.2 mm -86.33 148.92 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.416 ' HB3' HG12 ' A' ' 103' ' ' VAL . 2.7 t-160 -110.54 106.73 16.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.573 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.668 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 p -111.06 153.42 25.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.677 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -50.3 -52.77 33.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.93 -17.93 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -124.57 52.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.879 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -82.66 -42.23 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.88 -37.86 82.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -95.95 43.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 21' ' ' PRO . 16.0 tp -105.95 160.86 14.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.58 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 40.1 t0 -126.92 80.71 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.855 HG23 ' HG ' ' A' ' 62' ' ' LEU . 11.2 p -54.73 -22.57 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.03 2.31 24.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -92.34 -42.9 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 39.9 m-85 -49.83 128.41 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 13.9 tt0 -96.09 -2.6 46.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -43.79 167.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.03 164.74 32.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.94 3.63 33.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.07 18.58 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 116' ' ' GLY . 61.7 tp -41.03 -61.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.25 42.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -51.59 131.55 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 46.29 42.92 13.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.2 m -120.37 106.87 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 3.1 mtt-85 -88.88 110.08 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.676 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.6 mt -114.28 147.82 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.669 ' CE2' HD12 ' A' ' 74' ' ' LEU . 5.0 t80 -106.52 117.27 33.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.735 HD22 HD23 ' A' ' 59' ' ' LEU . 42.2 mt -83.42 115.57 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.779 ' SG ' HG22 ' A' ' 83' ' ' VAL . 1.8 p -120.8 165.23 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 38.18 54.69 2.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.576 ' CE2' HD23 ' A' ' 59' ' ' LEU . 9.2 m-85 -144.66 129.67 18.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -157.77 148.09 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.87 -132.83 11.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -67.41 -48.71 66.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.879 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -41.68 -54.07 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.514 ' CD1' HD13 ' A' ' 48' ' ' LEU . 21.0 tp -67.28 -56.73 8.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -39.69 -38.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ARG . 16.2 mmtt -66.07 -72.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.735 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -39.04 -38.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 16.4 mtp-105 -59.09 -51.74 68.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 65' ' ' SER . 59.3 mtt180 -68.08 -28.09 67.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.855 ' HG ' HG23 ' A' ' 31' ' ' VAL . 2.5 mp -71.74 -71.28 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.615 HD12 HD11 ' A' ' 48' ' ' LEU . 21.3 mt -37.79 -55.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -45.1 92.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 11.7 t -60.51 -29.53 69.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -91.35 -7.58 65.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.563 1.164 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.73 63.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.36 160.48 3.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.9 t -110.41 113.58 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.419 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -78.16 102.47 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -75.71 125.12 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -77.21 -14.48 59.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.4 170.98 13.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.763 HD22 ' CG ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -109.73 164.18 12.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.454 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.4 OUTLIER 165.81 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -67.84 -16.47 64.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -45.47 67.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' A' ' 74' ' ' LEU . 79.1 t -43.83 142.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.533 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.9 p -113.84 -17.56 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.676 ' HB2' HG23 ' A' ' 46' ' ' ILE . 11.0 m80 -159.44 157.44 30.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.956 HG11 HD12 ' A' ' 90' ' ' LEU . 76.6 t -135.68 96.97 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 mm -74.99 110.0 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.779 HG22 ' SG ' ' A' ' 49' ' ' CYS . 46.5 t -99.5 139.83 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -115.67 -21.25 5.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.522 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 20.0 m-20 -125.54 -53.55 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 13.4 p90 179.83 -45.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 86' ' ' TYR . 17.6 t0 81.91 108.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -94.29 -34.19 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.5 tp10 -57.91 -45.85 85.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.956 HD12 HG11 ' A' ' 81' ' ' VAL . 1.2 tt -40.5 -50.59 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -48.13 -46.63 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.4 mm-40 -57.96 -50.34 73.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.763 ' CG ' HD22 ' A' ' 74' ' ' LEU . 9.0 t80 -55.07 -37.81 67.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -63.59 -22.47 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.57 11.83 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -115.2 -86.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.7 m -91.34 157.71 16.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.05 98.96 10.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -163.08 157.35 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.19 90.66 49.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.61 40.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -81.34 102.31 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.45 HG22 HD11 ' A' ' 90' ' ' LEU . 46.3 t -91.78 99.11 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 121' ' ' GLU . 27.1 m -129.68 175.26 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.91 149.07 19.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.677 ' HB3' HD22 ' A' ' 23' ' ' LEU . . . -42.13 -36.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' ALA . 4.4 tttt -37.41 -50.42 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.62 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 53.3 t90 -56.54 -64.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -40.01 -48.94 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 21' ' ' PRO . 66.9 mt -52.68 -62.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.9 mm-40 -48.67 -48.39 39.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.718 ' HA ' HD11 ' A' ' 119' ' ' LEU . 80.2 m -40.67 -57.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 108.263 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.779 ' CD2' HD23 ' A' ' 62' ' ' LEU . 53.8 m-85 -65.53 -58.76 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.56 -41.43 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.603 ' HG3' HD21 ' A' ' 119' ' ' LEU . 4.7 mmmt -79.04 -24.53 43.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.519 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 90.13 -16.02 58.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.578 ' CE1' ' HG ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -132.81 162.94 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.789 . . . . 0.0 110.949 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 75.9 mtp -76.78 145.58 38.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.939 ' N ' HD12 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -116.51 -179.79 3.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.501 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.9 m -68.3 144.62 54.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.47 ' HB3' HG11 ' A' ' 104' ' ' VAL . 2.2 mt-10 -94.7 -9.05 36.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.622 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 13.3 mt-10 -72.82 -44.45 8.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.93 0.29 9.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.551 1.816 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.486 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 61.1 m-85 -133.42 34.44 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 121' ' ' GLU . 13.9 mm -75.98 153.29 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -111.51 106.26 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.798 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.2 p -114.63 163.15 15.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.921 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -60.07 -59.86 4.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -47.23 -22.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 23' ' ' LEU . 4.7 m-20 -119.67 59.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.668 HD23 HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -92.22 -37.22 12.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -68.78 -36.68 78.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.48 -44.02 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.898 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -44.96 145.03 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 27.7 t0 -110.31 127.92 55.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.946 HG23 ' HG ' ' A' ' 62' ' ' LEU . 4.3 p -80.62 -32.32 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.12 4.77 18.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.57 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -87.97 -45.91 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.898 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 84.9 m-85 -47.23 135.79 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.172 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -97.32 6.14 48.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -55.17 169.64 0.43 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.02 154.34 42.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -8.4 53.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -118.81 20.49 12.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 113' ' ' PHE . 48.5 tp -39.04 -65.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 63' ' ' ILE . 1.7 mt -92.53 54.39 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.25 124.16 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.31 37.9 75.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.09 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.8 m -124.75 104.63 8.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.7 mtm-85 -84.46 123.0 29.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 80' ' ' HIS . 1.8 mt -122.0 144.93 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.758 ' HD2' HG13 ' A' ' 81' ' ' VAL . 56.9 t80 -109.59 118.96 37.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.958 HD22 HD23 ' A' ' 59' ' ' LEU . 57.0 mt -84.17 132.5 34.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.96 153.95 48.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.58 55.11 9.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.525 ' CE1' ' HA3' ' A' ' 84' ' ' GLY . 13.1 m-85 -142.96 131.84 22.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.86 165.18 36.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.88 -122.66 13.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -81.19 -47.07 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.537 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -40.79 -50.54 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 51' ' ' PHE . 5.9 tp -66.77 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -39.43 -47.72 1.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 50.2 mmtt -53.49 -66.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.958 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -44.42 -57.86 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' LEU . 4.4 mtt180 -38.99 -52.31 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -65.73 -42.11 91.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.946 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -57.36 -70.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.505 HD12 HD11 ' A' ' 48' ' ' LEU . 11.4 mt -38.11 -55.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -57.65 -45.71 85.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' LEU . 39.8 t -57.18 -29.34 63.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.56 -15.12 60.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.91 -15.25 62.91 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.53 164.58 8.54 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.3 t -110.25 116.85 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 70' ' ' ARG . 4.7 ttp-105 -84.14 109.61 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.634 ' CZ ' ' HB2' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -86.11 108.94 18.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.73 -20.45 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -123.94 151.97 43.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.53 HD22 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.9 125.35 31.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.577 ' C ' ' CE1' ' A' ' 93' ' ' PHE . 6.0 m120 -148.8 -174.07 4.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' CG ' ' CB ' ' A' ' 97' ' ' SER . 13.3 mt-10 -85.15 12.34 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.634 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -94.36 -50.08 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.697 HG21 ' CB ' ' A' ' 47' ' ' TYR . 1.1 p -55.68 136.12 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.472 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 82.6 p -105.4 -15.58 14.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.6 m80 -141.25 147.15 37.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.639 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.993 HG11 HD12 ' A' ' 90' ' ' LEU . 74.1 t -127.49 105.91 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.444 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.1 mm -82.72 112.78 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.592 ' CG2' HG13 ' A' ' 103' ' ' VAL . 39.0 t -96.75 126.07 49.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.525 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -97.68 -36.19 4.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -133.04 -48.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -164.91 149.52 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.417 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 20.0 p-10 -106.6 91.92 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' LYS . 18.0 m-20 -92.02 -56.72 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.509 ' CB ' ' OH ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -38.81 -54.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.993 HD12 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -38.46 -43.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.517 ' CG ' ' N ' ' A' ' 92' ' ' GLN . 3.2 pttt -51.7 -53.05 43.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.517 ' N ' ' CG ' ' A' ' 91' ' ' LYS . 8.5 mt-30 -57.68 -41.72 82.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.577 ' CE1' ' C ' ' A' ' 75' ' ' ASN . 57.8 t80 -68.34 -27.24 66.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.555 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 3.4 m0 -72.0 -24.46 61.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 107.958 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.34 1.96 54.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -107.08 -80.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.44 ' CB ' ' CG ' ' A' ' 76' ' ' GLU . 58.8 m -102.18 158.12 16.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.61 98.37 10.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -159.46 145.4 16.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.578 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.34 89.81 47.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.495 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.06 161.26 38.89 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -75.47 108.53 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.592 HG13 ' CG2' ' A' ' 83' ' ' VAL . 92.1 t -93.68 96.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.583 HG11 ' CB ' ' A' ' 121' ' ' GLU . 16.3 m -128.78 178.58 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 107' ' ' LYS . . . -103.18 153.88 18.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.446 1.091 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.921 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -47.41 -22.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 14.9 tttt -60.54 -14.28 18.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.588 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 8.2 t90 -99.84 -3.74 31.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 107.998 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.686 HD11 ' HE2' ' A' ' 113' ' ' PHE . 9.4 tp -92.17 -47.49 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.805 HD22 ' O ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -58.85 -56.24 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.5 mm-40 -47.68 -38.86 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 118' ' ' MET . 67.0 m -62.16 -55.71 26.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 108.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.686 ' HE2' HD11 ' A' ' 109' ' ' LEU . 29.4 m-85 -70.12 -6.92 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.9 t -97.33 -45.77 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 1.2 mmtt -74.08 -23.07 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.99 -13.07 63.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.412 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 2.8 p90 -141.62 165.98 25.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.413 ' HA ' ' SG ' ' A' ' 112' ' ' CYS . 12.2 mtp -69.01 147.6 51.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.504 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.7 mt -117.91 177.6 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.485 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.8 m -66.93 143.41 56.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.583 ' CB ' HG11 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -95.75 -9.19 32.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.621 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 45.3 mt-10 -71.97 -43.01 10.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.04 3.19 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.588 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 74.7 m-85 -138.82 39.44 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 21.5 mm -83.16 148.59 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -114.56 106.82 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.2 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.549 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -115.78 151.21 35.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.985 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -45.84 -65.73 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 11.4 mt-10 -37.61 -66.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -80.9 62.25 4.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 13.4 tp -97.83 -26.27 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -75.34 -50.73 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -68.67 -22.88 64.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.803 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.9 tp -55.22 138.41 45.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 14.2 t0 -106.27 101.4 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.904 HG23 ' HG ' ' A' ' 62' ' ' LEU . 10.7 p -56.62 -24.1 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.37 4.68 14.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -92.96 -42.93 9.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.803 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 53.5 m-85 -49.25 130.86 19.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 8.2 tt0 -94.9 -5.13 45.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 113' ' ' PHE . . . -43.46 166.5 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.1 162.5 36.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.67 4.62 21.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -131.35 16.91 4.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' ASP . 54.9 tp -39.54 -70.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -85.73 48.76 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.45 127.15 29.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.17 39.93 58.82 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.4 m -123.45 104.32 9.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -87.32 121.51 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.641 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.4 mp -120.49 157.52 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.791 ' HD2' HG13 ' A' ' 81' ' ' VAL . 89.0 t80 -115.92 116.1 27.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.945 HD22 HD23 ' A' ' 59' ' ' LEU . 62.6 mt -83.27 119.03 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.9 t -133.54 130.08 37.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.25 52.86 5.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 35.2 m-85 -145.97 136.56 24.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -165.45 147.83 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.998 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.08 -117.23 4.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.25 -52.51 6.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -41.47 -55.15 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD22 ' O ' ' A' ' 51' ' ' PHE . 8.5 tp -59.24 -61.97 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -40.31 -43.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' ARG . 69.0 mmtt -58.37 -73.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.945 HD23 HD22 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -39.86 -42.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 23.3 mtt-85 -55.55 -50.45 69.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' LYS . 78.1 mtt180 -69.81 -40.58 75.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.904 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.8 mp -56.84 -66.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.86 HD13 ' HB3' ' A' ' 70' ' ' ARG . 16.8 mt -40.1 -55.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.31 -40.89 75.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.6 t -65.99 -16.66 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -104.45 -10.36 33.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.21 -0.94 87.57 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.65 166.38 53.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 t -121.07 120.18 61.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.86 ' HB3' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -88.9 128.34 35.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 77' ' ' ASP . 1.4 m-85 -99.62 117.03 33.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -69.53 -19.77 63.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -123.44 143.69 49.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.727 HD22 ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.89 127.62 33.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.547 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -156.18 -174.22 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -83.0 9.27 10.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 1.1 m-20 -89.89 -48.21 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.708 HG21 ' HB2' ' A' ' 47' ' ' TYR . 1.8 p -63.74 148.06 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.411 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 80.6 p -110.08 -26.94 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.641 ' HB2' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -127.51 156.48 42.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.569 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.063 HG11 HD12 ' A' ' 90' ' ' LEU . 67.2 t -136.96 97.54 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.503 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.6 mm -77.41 102.38 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.828 HG22 ' HB3' ' A' ' 87' ' ' ASP . 92.6 t -88.09 106.9 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -98.72 -12.42 43.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 86' ' ' TYR . 1.1 m-20 -173.63 78.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 85' ' ' ASP . 43.8 m-85 59.28 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.828 ' HB3' HG22 ' A' ' 83' ' ' VAL . 13.0 p-10 -116.0 42.65 2.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ASP . 4.6 m-20 -39.78 -30.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' GLN . 0.1 OUTLIER -60.19 -55.2 36.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.063 HD12 HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -39.97 -53.74 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.02 -41.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.6 mm100 -64.08 -47.68 79.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.476 ' CD2' HD12 ' A' ' 74' ' ' LEU . 17.7 t80 -61.53 -19.64 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.681 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 12.2 m0 -81.56 -22.81 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 107.995 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -101.52 5.9 42.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -108.62 -76.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.6 m -109.26 158.07 18.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.52 97.34 11.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -168.71 141.64 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.589 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.69 98.28 49.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.451 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.02 162.26 37.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -74.9 108.43 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.638 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 83' ' ' VAL . 26.8 t -94.78 110.07 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 33.6 m -139.31 178.17 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.42 149.65 17.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.985 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.41 -35.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.671 ' H ' HD23 ' A' ' 23' ' ' LEU . 3.1 tttt -39.19 -50.23 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.616 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 41.8 t90 -58.27 -61.81 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -40.3 -44.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.36 -63.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.43 -48.25 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.709 ' HA ' HD11 ' A' ' 119' ' ' LEU . 96.6 m -41.39 -57.85 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.787 ' CD2' HD23 ' A' ' 62' ' ' LEU . 61.8 m-85 -64.91 -59.28 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 t -46.77 -48.72 20.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.513 ' HE2' ' CD2' ' A' ' 119' ' ' LEU . 1.3 mmmt -72.06 -26.66 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.83 -2.25 87.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.63 ' CE1' ' HG ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -142.79 155.87 44.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 111.004 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.9 mtp -71.66 141.37 49.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.92 ' N ' HD12 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -114.24 179.75 3.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.499 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 59.5 m -68.93 145.03 54.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.522 ' OE2' ' CD2' ' A' ' 80' ' ' HIS . 34.6 mt-10 -95.02 -9.4 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.62 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 29.2 mt-10 -73.4 -44.55 7.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.94 1.15 8.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 57.1 m-85 -134.11 36.22 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 20.5 mm -80.02 146.48 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -107.14 110.46 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.554 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.576 ' O ' HD13 ' A' ' 110' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.3 p -108.8 165.27 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.994 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -59.33 -60.55 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -44.28 -26.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 23' ' ' LEU . 26.6 m-20 -121.28 59.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.812 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -85.91 -43.14 13.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -71.08 -13.13 61.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -110.98 -7.79 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.856 HD22 ' N ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -69.03 131.5 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.856 ' N ' HD22 ' A' ' 29' ' ' LEU . 32.2 t0 -97.31 89.26 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.778 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.6 p -52.74 -34.57 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -8.7 31.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -77.16 -45.48 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.663 ' CE2' HD21 ' A' ' 29' ' ' LEU . 45.7 m-85 -48.96 123.87 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -88.93 2.37 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.74 166.51 0.15 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.96 157.12 43.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.62 -3.59 32.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -124.85 20.15 8.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD23 ' CD1' ' A' ' 113' ' ' PHE . 47.6 tp -40.02 -59.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -98.85 53.45 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.42 126.58 27.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.99 38.87 39.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.9 m -122.24 109.11 14.07 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -86.56 126.35 34.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.46 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.4 mt -125.79 143.46 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.743 ' HD2' HG13 ' A' ' 81' ' ' VAL . 55.5 t80 -110.35 118.81 37.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.634 HD22 HD23 ' A' ' 59' ' ' LEU . 47.1 mt -83.14 132.82 35.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.26 136.85 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 108.29 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.92 56.05 16.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.519 ' CE2' HD23 ' A' ' 59' ' ' LEU . 19.1 m-85 -148.24 133.75 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.14 165.71 35.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.29 -120.73 13.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -48.03 10.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.812 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -40.04 -46.14 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.478 HD12 HD13 ' A' ' 48' ' ' LEU . 15.1 tp -72.04 -59.4 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' LEU . 11.7 t70 -39.3 -45.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 29' ' ' LEU . 72.6 mmtt -56.28 -70.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.634 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -41.16 -47.61 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -52.3 -44.1 64.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' LYS . 80.2 mtt180 -73.28 -30.49 63.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.845 HD23 ' CD2' ' A' ' 113' ' ' PHE . 2.7 mp -68.77 -68.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.495 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 8.7 mt -39.41 -54.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.19 -45.3 91.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' LEU . 30.5 t -58.75 -27.85 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' ASP . . . -88.33 -18.67 54.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.51 -1.58 62.14 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.13 167.65 54.87 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -107.56 135.78 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.8 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HD2' HD12 ' A' ' 48' ' ' LEU . 7.7 ttp-105 -103.0 107.86 18.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CZ ' ' CB ' ' A' ' 77' ' ' ASP . 2.0 m-85 -86.53 104.23 15.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.43 -15.31 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -129.49 141.87 50.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.548 HD21 ' HG ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -71.9 126.48 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -147.81 -175.64 4.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -87.31 16.84 4.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.621 ' CB ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -100.88 -48.43 4.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.662 HG21 ' CB ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -54.35 139.06 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.488 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 21.5 p -118.6 5.4 11.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.835 ' HB3' ' HE2' ' A' ' 102' ' ' HIS . 45.3 m80 -155.27 138.69 15.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.564 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.108 HG11 HD12 ' A' ' 90' ' ' LEU . 40.3 t -126.16 109.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.428 ' CG2' ' HA ' ' A' ' 106' ' ' ALA . 1.2 mm -92.08 104.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.595 HG21 ' CG1' ' A' ' 103' ' ' VAL . 33.3 t -86.22 115.41 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.26 -41.6 4.22 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -124.68 -44.86 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -173.63 173.43 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 29.7 p-10 -138.52 92.42 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -94.38 -32.17 13.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' GLN . 3.3 tp10 -67.67 -47.24 70.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.108 HD12 HG11 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -44.91 -49.95 10.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HA ' ' CE3' ' A' ' 94' ' ' TRP . 33.0 mttt -51.33 -37.76 49.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -66.49 -44.12 83.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 97' ' ' SER . 50.9 t80 -65.46 -16.15 63.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.768 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 16.8 m0 -79.61 -12.04 59.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 107.988 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.97 11.1 14.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -110.91 -77.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.43 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 45.9 m -106.83 158.94 16.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.2 96.67 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -175.44 130.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -118.88 94.19 47.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.634 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.01 156.3 42.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.891 ' HE1' HG22 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -61.95 156.08 21.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.595 ' CG1' HG21 ' A' ' 83' ' ' VAL . 18.2 t -135.27 95.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.891 HG22 ' HE1' ' A' ' 102' ' ' HIS . 3.1 m -126.35 178.24 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.38 165.71 23.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.158 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.994 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -58.02 -36.0 72.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.659 ' HA ' HD12 ' A' ' 110' ' ' LEU . 15.6 tttt -38.8 -48.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 62.5 t90 -53.97 -63.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -40.28 -46.58 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 107' ' ' LYS . 26.5 mt -57.89 -59.29 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.1 mm-40 -50.97 -33.74 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.233 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.567 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 34.5 m -64.08 -57.66 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.246 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.845 ' CD2' HD23 ' A' ' 62' ' ' LEU . 47.8 m-85 -69.47 -12.47 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.5 t -90.78 -43.42 10.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.762 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.5 mmtt -79.57 -18.21 52.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.492 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 91.53 -15.99 60.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.791 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 3.7 p90 -136.9 155.37 49.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.502 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 66.4 mtp -65.0 139.84 58.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.791 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -113.76 177.17 4.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.416 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 49.5 m -62.66 141.69 58.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.628 ' HB3' HG11 ' A' ' 104' ' ' VAL . 1.2 mp0 -96.32 -23.83 16.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.586 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 17.8 mt-10 -55.27 -46.37 99.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.98 6.92 3.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.441 ' CD1' ' HB2' ' A' ' 108' ' ' TRP . 45.3 m-85 -133.14 16.11 4.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.519 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 8.4 mm -62.79 144.75 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -109.72 108.99 19.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.569 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.945 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.795 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -113.61 161.4 17.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.065 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -54.71 -72.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 1.3 mp0 -38.1 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' LEU . 61.4 m-20 -110.47 60.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -97.94 -29.74 13.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -69.39 -51.11 39.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -90.86 37.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.795 HD13 ' HA ' ' A' ' 21' ' ' PRO . 20.3 tp -98.96 154.3 18.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.844 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 20.4 t0 -119.03 94.49 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.966 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -65.6 -12.44 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.53 9.82 38.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.844 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -96.98 -44.27 7.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.807 ' CE2' HD21 ' A' ' 62' ' ' LEU . 74.5 m-85 -48.19 120.47 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ALA . 34.6 mt-30 -85.28 -4.11 59.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.96 168.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.04 152.59 40.75 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 65' ' ' SER . 1.5 mt-10 -68.81 -7.43 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -120.16 19.32 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.67 HD23 ' CD1' ' A' ' 113' ' ' PHE . 55.4 tp -38.64 -54.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.624 HD11 ' CZ ' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -104.48 57.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.63 127.57 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.65 41.91 43.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.4 m -120.35 109.37 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.568 ' HG2' ' CE1' ' A' ' 71' ' ' PHE . 4.0 mtm-85 -94.43 114.66 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.492 HG21 ' CG1' ' A' ' 82' ' ' ILE . 1.8 mt -114.41 152.51 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 1.041 ' CD2' HD12 ' A' ' 74' ' ' LEU . 59.2 t80 -110.19 125.53 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.035 HD22 HD13 ' A' ' 59' ' ' LEU . 87.2 mt -90.67 118.79 30.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.6 t -129.93 138.36 50.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 108.289 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.42 61.6 5.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.701 ' O ' HD22 ' A' ' 56' ' ' LEU . 19.6 m-85 -151.8 118.17 5.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 0.759 . . . . 0.0 111.019 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.98 123.03 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.36 -116.43 3.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -90.28 -52.26 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HB3' HD13 ' A' ' 26' ' ' LEU . 1.9 mttt -40.4 -39.51 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 51' ' ' PHE . 14.2 tp -71.1 -69.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -38.84 -42.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 10.9 mmtt -53.52 -64.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.035 HD13 HD22 ' A' ' 48' ' ' LEU . 68.1 mt -46.95 -51.03 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -46.69 -28.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -96.0 -36.38 11.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.966 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -66.96 -60.62 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.845 HD11 HD21 ' A' ' 48' ' ' LEU . 3.6 mt -48.7 -43.86 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -41.01 90.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -51.82 -51.99 52.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -72.39 -2.61 55.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.29 -17.75 49.79 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.49 175.26 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -132.64 121.38 44.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -89.14 131.08 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CE2' ' CB ' ' A' ' 77' ' ' ASP . 2.3 m-85 -103.2 116.93 33.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -58.09 -32.58 68.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -122.96 135.22 54.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.041 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -74.46 146.04 43.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 77' ' ' ASP . 7.3 p-10 176.93 -178.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 6.5 mt-10 -64.26 74.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.62 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 4.0 m-20 -168.31 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -73.5 117.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 45' ' ' ARG . 77.8 p -84.12 -18.13 37.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.761 ' O ' HG23 ' A' ' 78' ' ' VAL . 3.5 m80 -143.06 147.52 35.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.573 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.655 HG11 HD22 ' A' ' 90' ' ' LEU . 65.8 t -121.17 117.36 52.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.566 HD13 HG23 ' A' ' 104' ' ' VAL . 4.1 mm -97.75 101.57 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 87' ' ' ASP . 95.6 t -92.79 131.97 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.88 -61.26 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.65 -38.2 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 8.4 p90 -171.52 165.44 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.552 ' HB3' HG22 ' A' ' 83' ' ' VAL . 5.5 p-10 -137.02 97.56 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -85.93 -33.86 21.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -62.08 -39.94 94.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.655 HD22 HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -47.99 -61.02 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -42.87 -42.74 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -64.05 -47.66 79.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.628 ' CD2' HD22 ' A' ' 74' ' ' LEU . 29.1 t80 -59.57 -19.89 51.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -81.94 -19.45 40.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.979 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -106.78 9.07 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -82.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 76' ' ' GLU . 47.1 m -105.0 158.29 16.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.31 97.22 10.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -167.34 130.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.01 94.12 37.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.42 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.0 -179.97 5.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -92.53 113.81 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.573 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.645 HG22 HD21 ' A' ' 90' ' ' LEU . 39.6 t -92.97 98.88 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.935 HG11 ' CB ' ' A' ' 121' ' ' GLU . 21.4 m -130.52 177.15 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.62 150.84 18.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 1.065 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -44.39 -38.11 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.613 ' H ' HD23 ' A' ' 23' ' ' LEU . 10.1 tttt -38.6 -48.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.554 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 23.8 t90 -55.27 -58.61 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 107.994 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.571 HD11 HG13 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -44.95 -45.9 10.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 21' ' ' PRO . 53.1 mt -55.58 -64.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.0 mm-40 -46.65 -42.5 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.495 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 59.6 m -50.7 -45.74 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.764 ' CD2' HD23 ' A' ' 62' ' ' LEU . 43.0 m-85 -78.64 -48.2 15.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.3 t -54.33 -36.33 63.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.824 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.7 mmtt -83.45 -26.0 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.478 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . 93.41 -13.45 67.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.727 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 4.0 p90 -137.47 139.72 40.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.8 mtp -53.11 140.03 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.824 HD11 ' HG3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -116.14 177.46 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -69.57 147.91 50.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.935 ' CB ' HG11 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -97.56 -24.22 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.569 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 0.7 OUTLIER -48.71 -47.79 71.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -75.02 3.77 5.33 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.554 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 72.1 m-85 -134.75 24.89 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.561 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 2.8 mm -66.53 154.93 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.587 ' HB3' HG12 ' A' ' 103' ' ' VAL . 3.0 t-160 -113.15 111.35 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.62 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.03 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 p -108.03 153.78 22.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.959 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -49.0 -57.33 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.15 -23.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -120.91 61.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.871 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -93.13 -42.23 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 5.3 mt-10 -74.47 -24.75 59.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -107.03 24.92 12.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.845 HD12 ' H ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -101.0 155.27 18.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.845 ' H ' HD12 ' A' ' 29' ' ' LEU . 12.0 t0 -116.0 92.49 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.932 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.7 p -53.41 -33.0 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -6.01 31.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -76.94 -46.75 23.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.671 ' CE2' HD21 ' A' ' 62' ' ' LEU . 64.5 m-85 -51.03 127.12 18.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 6.0 tt0 -91.39 -3.58 56.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -41.68 162.84 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.02 159.65 41.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' CA ' ' A' ' 67' ' ' GLY . 2.2 mt-10 -75.07 -11.99 60.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.68 20.86 16.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.487 HD22 ' HB1' ' A' ' 36' ' ' ALA . 37.1 tp -43.05 -58.79 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.83 HD13 ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -106.68 39.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -44.52 122.51 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.12 40.54 97.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 56.1 m -120.7 107.4 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' THR . 11.7 mtt-85 -83.3 101.79 11.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.83 ' CD1' HD13 ' A' ' 41' ' ' LEU . 3.5 mt -102.18 165.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.827 ' CE2' HD12 ' A' ' 74' ' ' LEU . 78.1 t80 -144.55 170.96 15.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 47' ' ' TYR . 2.2 mm? -125.6 125.03 42.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 87' ' ' ASP . 7.0 t -127.75 98.8 5.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.29 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.81 24.48 5.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.41 ' CE1' HD21 ' A' ' 59' ' ' LEU . 57.8 m-85 -119.58 169.52 9.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.15 -74.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . -55.09 -165.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLY . 47.9 mtt180 -38.46 -38.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.871 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.3 mttt -42.42 -48.01 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASP . 1.4 tp -65.54 -69.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.8 t70 -39.26 -42.14 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.684 ' O ' HD12 ' A' ' 62' ' ' LEU . 10.0 mmtt -50.06 -62.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -55.3 -46.45 76.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -48.93 -47.71 43.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -68.87 -42.18 77.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.932 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -59.61 -66.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.566 HD13 ' HD2' ' A' ' 70' ' ' ARG . 4.6 mt -37.81 -55.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.69 -44.44 96.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 20.0 t -61.88 -14.03 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -110.42 -1.55 29.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 38' ' ' GLU . . . 87.15 -18.86 33.96 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 41' ' ' LEU . . . -51.13 155.12 3.55 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 13.5 t -92.89 111.5 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.566 ' HD2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -87.22 100.16 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.483 ' O ' ' CZ ' ' A' ' 70' ' ' ARG . 1.6 m-30 -73.94 154.37 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -90.3 -30.97 17.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -136.3 146.24 46.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.827 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -70.3 164.03 25.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.763 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.4 OUTLIER 156.82 -175.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 17.4 mt-10 -65.9 90.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.482 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.2 m-20 169.53 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 80' ' ' HIS . 74.0 t -59.13 106.94 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 72.6 p -76.83 -16.29 59.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.51 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 18.8 m80 -152.17 142.31 22.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.023 HG11 HD12 ' A' ' 90' ' ' LEU . 75.3 t -119.93 101.84 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.495 ' HB ' HD13 ' A' ' 48' ' ' LEU . 1.6 mm -83.83 117.05 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.574 ' CG2' HG13 ' A' ' 103' ' ' VAL . 44.4 t -103.36 141.68 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.8 -38.34 3.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -134.83 -49.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -158.03 166.27 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 19.4 p-10 -123.43 85.88 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -93.12 -28.48 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.23 -42.15 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.023 HD12 HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -44.87 -52.68 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' LEU . 18.8 mttm -39.28 -47.43 1.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.6 -52.31 64.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 75' ' ' ASN . 9.6 t80 -58.1 -21.97 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.624 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 10.9 m0 -82.71 -25.44 32.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 108.012 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -88.56 -0.28 57.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -108.01 -66.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.467 ' CB ' ' HG3' ' A' ' 76' ' ' GLU . 58.8 m -118.09 158.6 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.22 98.24 10.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -152.98 146.97 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.572 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.67 89.29 51.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.474 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.05 178.18 7.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.06 102.23 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.574 HG13 ' CG2' ' A' ' 83' ' ' VAL . 55.0 t -85.33 95.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.628 HG11 ' HB3' ' A' ' 121' ' ' GLU . 32.8 m -125.23 175.61 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.41 149.75 18.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.959 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.03 -35.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.69 ' H ' HD23 ' A' ' 23' ' ' LEU . 4.3 tttt -39.34 -46.99 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.592 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 49.1 t90 -59.48 -64.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.548 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -38.02 -51.31 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' SER . 25.9 mt -54.25 -63.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 119' ' ' LEU . 4.4 mm-40 -44.12 -40.08 4.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 68.8 m -60.59 -57.28 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.74 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -68.92 -11.56 60.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' LEU . 31.1 t -88.56 -46.02 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.68 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.3 mmtt -76.59 -21.79 55.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.407 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 98.54 -15.22 61.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.598 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 13.1 p90 -134.25 164.83 26.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.4 mtp -73.92 135.24 43.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.68 HD11 ' HG3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -109.6 176.79 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.444 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 8.1 m -67.44 145.81 54.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.628 ' HB3' HG11 ' A' ' 104' ' ' VAL . 1.7 mp0 -95.02 -10.24 31.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.644 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 32.0 mt-10 -63.75 -43.11 75.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.05 2.11 7.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.499 ' O ' HG12 ' A' ' 104' ' ' VAL . 96.8 m-85 -138.93 43.22 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 30.7 mm -87.08 149.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.464 ' HB3' HG12 ' A' ' 103' ' ' VAL . 1.8 t-80 -114.02 106.3 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 m -125.82 146.71 49.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -176.44 131.56 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.37 -171.77 33.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -170.88 155.31 4.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -112.2 170.13 8.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.31 -176.65 15.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.35 141.16 30.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 109.965 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -141.26 173.19 11.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 p -139.45 79.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 12' ' ' CYS . 4.0 mt -93.49 161.59 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 25.5 p -99.12 132.93 44.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 108.333 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -158.98 138.85 11.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -50.9 143.9 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -170.11 -68.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -143.15 129.57 20.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m 42.99 88.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -122.85 128.72 50.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.627 HD23 ' HB3' ' A' ' 25' ' ' ASN . 6.9 mp 60.23 150.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.46 150.02 97.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HA ' HD23 ' A' ' 29' ' ' LEU . 18.3 Cg_endo -75.03 56.63 4.33 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 p -114.6 155.4 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.967 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -50.23 -57.73 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 42.6 mt-10 -37.9 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.627 ' HB3' HD23 ' A' ' 19' ' ' LEU . 8.9 m-20 -126.03 53.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -80.12 -44.67 19.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 3.6 mt-10 -59.4 -25.33 64.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -121.29 35.37 4.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.991 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -94.82 122.82 37.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.756 ' N ' HD22 ' A' ' 29' ' ' LEU . 48.4 t0 -80.16 85.59 5.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.838 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.3 p -54.46 -33.43 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -8.21 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -75.37 -46.51 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CE2' HD21 ' A' ' 29' ' ' LEU . 62.3 m-85 -48.0 116.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -79.88 -1.16 37.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.581 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -42.91 164.61 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.02 157.0 42.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -73.7 -3.03 25.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -126.38 20.99 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD22 ' HB1' ' A' ' 36' ' ' ALA . 38.6 tp -39.78 -58.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.742 HD11 ' HE1' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -107.25 63.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.74 124.83 23.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.54 38.65 58.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.0 m -112.3 105.83 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.4 mtm-85 -89.52 111.93 22.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.693 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.5 mp -111.3 150.6 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.912 ' CE2' HD12 ' A' ' 74' ' ' LEU . 73.2 t80 -110.31 116.27 31.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.745 HD22 HD23 ' A' ' 59' ' ' LEU . 81.7 mt -87.97 130.91 34.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.18 137.25 25.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 108.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.35 -70.48 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 106' ' ' ALA . 43.7 m-85 -42.02 161.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.12 -56.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.85 -132.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 50.3 mtt-85 -71.32 -38.92 71.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HB3' HD13 ' A' ' 26' ' ' LEU . 10.5 mttt -40.19 -49.27 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 HD13 ' A' ' 48' ' ' LEU . 40.8 tp -66.88 -58.21 5.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.69 -34.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 61' ' ' ARG . 49.6 mmtt -66.74 -68.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.745 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -38.64 -40.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -57.26 -51.34 69.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 65' ' ' SER . 66.4 mtt85 -69.5 -31.16 69.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.838 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.6 mp -69.26 -71.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.9 mt -38.65 -54.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -61.19 -44.59 97.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 2.7 t -54.81 -36.32 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -91.65 5.56 79.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.97 -20.62 27.91 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -46.82 164.88 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -119.98 122.87 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.568 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.61 106.42 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 73' ' ' GLN . 1.1 m-85 -80.32 141.27 35.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -79.35 -23.21 43.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 2.5 mt-30 -129.99 175.0 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.912 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -101.29 159.0 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.585 ' H ' HD23 ' A' ' 74' ' ' LEU . 35.2 m-80 -173.4 -175.71 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -74.64 -15.51 60.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -73.93 -35.46 64.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 80' ' ' HIS . 55.4 t -44.67 122.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.551 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 47.3 p -99.09 -12.41 20.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.693 ' HB2' HG23 ' A' ' 46' ' ' ILE . 25.5 m80 -159.72 159.47 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 47' ' ' TYR . 41.6 t -137.6 96.27 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.677 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.2 mm -77.49 105.28 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.654 ' CG2' HG13 ' A' ' 103' ' ' VAL . 58.0 t -95.25 150.95 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.11 -34.22 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -141.64 -49.13 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.75 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.543 ' CE2' ' OD1' ' A' ' 88' ' ' ASP . 0.4 OUTLIER -168.21 145.85 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -116.43 104.71 11.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.543 ' OD1' ' CE2' ' A' ' 86' ' ' TYR . 44.2 m-20 -79.87 -56.71 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -40.04 -43.78 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.597 HD21 ' CG2' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -41.45 -48.46 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -55.94 -52.68 63.27 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -55.25 -54.01 48.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.57 ' CD2' HD22 ' A' ' 74' ' ' LEU . 35.6 t80 -53.32 -35.72 60.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -67.92 -33.1 74.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -80.51 -10.69 59.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -96.19 -79.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.7 m -99.1 157.79 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.57 99.01 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -159.77 156.45 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -125.79 92.0 47.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.0 36.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -84.88 105.16 15.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.654 HG13 ' CG2' ' A' ' 83' ' ' VAL . 85.1 t -92.03 109.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.793 HG21 ' OE2' ' A' ' 121' ' ' GLU . 29.7 m -135.35 177.37 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.76 148.5 18.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.967 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -41.96 -35.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.403 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.0 tttt -40.73 -48.31 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.553 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 35.5 t90 -57.73 -61.16 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.494 ' HG ' HD11 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -39.36 -49.14 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 mt -56.08 -64.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 119' ' ' LEU . 4.3 mm-40 -42.14 -42.0 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 71.9 m -58.34 -57.8 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.742 ' HE1' HD11 ' A' ' 41' ' ' LEU . 21.5 m-85 -68.46 -8.71 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.8 t -91.81 -44.05 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HG3' HD11 ' A' ' 119' ' ' LEU . 1.6 mmtt -80.11 -21.62 43.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.78 -9.96 68.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.543 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 13.0 p90 -140.47 156.66 46.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.7 mtp -63.99 142.12 58.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.595 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.1 mt -116.15 176.74 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.451 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 58.5 m -64.84 146.26 55.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.793 ' OE2' HG21 ' A' ' 104' ' ' VAL . 1.6 mm-40 -96.19 -24.22 16.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.614 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.3 mt-10 -55.27 -44.39 99.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.16 5.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.597 ' O ' HG12 ' A' ' 104' ' ' VAL . 69.4 m-85 -139.45 41.33 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 24.2 mm -85.36 140.68 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -101.67 109.96 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.53 172.58 6.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -82.16 178.02 53.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.44 1.087 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.71 9.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.6 t 68.61 160.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.6 p -137.99 -55.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -152.5 126.63 9.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -77.7 -165.76 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.38 -145.8 4.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 p -153.16 166.71 31.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.979 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.3 p -106.66 -175.15 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.59 -113.5 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 p -147.48 173.07 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.006 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.47 164.94 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.9 p -119.95 167.09 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -147.27 125.61 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.32 146.54 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.334 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -149.65 156.71 42.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.2 p -164.23 165.79 21.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 170.71 13.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -71.99 112.53 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.7 p -173.78 122.35 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.93 144.63 11.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mt -146.31 149.9 34.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -39.21 152.95 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.679 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -75.04 68.49 5.78 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 20' ' ' GLU . 65.0 p -119.27 159.41 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.785 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -53.4 -58.11 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.52 -21.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -122.26 60.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.704 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -93.87 -41.43 9.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.04 -37.86 84.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -103.82 45.73 0.95 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 21' ' ' PRO . 21.5 tp -102.74 149.75 24.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' H ' HD12 ' A' ' 29' ' ' LEU . 43.3 t0 -114.74 80.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.888 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -54.06 -23.33 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -15.24 60.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -47.46 62.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.689 ' CE2' HD21 ' A' ' 62' ' ' LEU . 45.9 m-85 -46.49 124.46 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ALA . 9.8 mm-40 -94.0 -1.75 54.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.06 166.65 0.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.04 154.81 42.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.432 1.754 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.18 -5.34 31.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -120.76 19.32 11.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.518 HD22 ' HB1' ' A' ' 36' ' ' ALA . 37.7 tp -39.95 -58.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -104.59 66.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.98 123.29 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.59 37.68 93.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.5 m -119.4 108.79 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.545 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 4.4 mtt180 -91.88 109.26 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.616 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.6 mp -110.3 154.47 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.689 ' HB3' HG22 ' A' ' 81' ' ' VAL . 4.0 t80 -118.07 123.49 45.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.79 HD22 HD23 ' A' ' 59' ' ' LEU . 91.9 mt -89.56 129.74 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.54 139.09 45.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . 93.75 -68.91 1.47 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE1' ' CA ' ' A' ' 84' ' ' GLY . 30.3 m-85 -37.52 154.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -153.03 -68.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.96 -145.03 0.47 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -44.16 -45.0 8.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.704 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -42.85 -47.93 5.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.58 HD12 HD13 ' A' ' 48' ' ' LEU . 35.9 tp -71.94 -63.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -35.49 -40.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' ARG . 14.1 mmtt -55.67 -69.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.79 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -41.99 -48.34 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -48.62 -41.58 31.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LYS . 85.3 mtt180 -75.9 -35.38 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.888 ' HG ' HG23 ' A' ' 31' ' ' VAL . 2.7 mp -67.39 -69.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' LEU . 15.8 mt -37.29 -56.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -47.63 85.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' LEU . 9.4 t -55.19 -29.44 57.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -92.01 -15.9 52.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.52 -16.62 54.78 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.88 161.2 5.01 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 t -111.38 116.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 101.55 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 1.1 m-30 -76.55 121.95 23.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -74.81 -17.41 60.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -129.75 152.9 48.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.689 HD22 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -98.35 162.11 13.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.584 ' H ' HD23 ' A' ' 74' ' ' LEU . 1.9 p30 157.47 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -64.36 93.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 165.91 -34.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.528 HG21 ' HG ' ' A' ' 74' ' ' LEU . 51.1 t -54.83 115.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 50.4 p -85.89 -19.48 30.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.616 ' HB2' HG23 ' A' ' 46' ' ' ILE . 23.0 m80 -155.25 161.68 41.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.732 HG11 HD21 ' A' ' 90' ' ' LEU . 40.6 t -140.18 96.24 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.633 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.3 mm -78.57 108.64 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 86' ' ' TYR . 82.9 t -93.71 131.13 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.581 ' CA ' ' CE1' ' A' ' 51' ' ' PHE . . . -94.1 -40.68 4.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -133.54 -47.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.75 ' O ' HG13 ' A' ' 83' ' ' VAL . 2.9 m-85 -151.21 176.78 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' HB3' HG22 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -144.29 75.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' GLU . 58.7 m-20 -82.88 -48.15 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.2 OUTLIER -37.79 -39.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.732 HD21 HG11 ' A' ' 81' ' ' VAL . 4.1 mm? -47.9 -54.53 12.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' LEU . 19.7 mttt -38.39 -56.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.89 -53.73 24.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.689 ' CD2' HD22 ' A' ' 74' ' ' LEU . 14.9 t80 -64.3 -32.61 74.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.581 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 26.2 m0 -74.38 -11.55 60.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -101.61 -0.32 34.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.228 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -110.61 -83.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -96.47 158.16 15.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.5 98.42 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -163.81 136.3 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.79 100.54 46.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.54 8.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -86.95 102.33 14.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.652 HG13 ' CG2' ' A' ' 83' ' ' VAL . 71.0 t -88.89 96.47 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.669 HG11 ' HB3' ' A' ' 121' ' ' GLU . 28.4 m -122.99 175.74 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.3 150.63 17.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.785 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.39 -36.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -38.89 -43.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.595 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 49.8 t90 -63.82 -64.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.561 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -38.96 -52.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.7 mt -50.46 -64.47 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.5 mm-40 -47.41 -41.07 19.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 31.2 m -53.84 -56.79 14.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CE2' HD22 ' A' ' 109' ' ' LEU . 37.0 m-85 -68.63 -38.19 80.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -61.9 -41.87 98.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.14 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.739 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.2 mmtt -79.86 -25.98 40.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.71 -11.53 66.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.78 ' CE2' HD23 ' A' ' 119' ' ' LEU . 9.1 p90 -140.37 149.16 42.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.477 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 60.7 mtp -59.88 140.76 56.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.78 HD23 ' CE2' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -116.29 177.15 4.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.454 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 9.8 m -62.88 144.56 56.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.669 ' HB3' HG11 ' A' ' 104' ' ' VAL . 0.8 OUTLIER -95.89 -10.14 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 21.4 mt-10 -66.53 -42.87 49.36 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.93 2.83 6.15 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.555 ' O ' HG12 ' A' ' 104' ' ' VAL . 97.3 m-85 -140.23 42.48 1.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 25.7 mm -84.9 145.59 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.64 ' HB3' HG12 ' A' ' 103' ' ' VAL . 3.6 t-80 -106.5 110.77 23.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.614 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.4 173.18 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.04 114.72 4.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.91 2.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.773 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 131' ' ' SER . 4.8 m -141.05 -53.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 130' ' ' SER . 3.3 m 78.45 -59.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -166.49 117.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.01 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -97.19 170.61 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.89 179.06 31.23 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -165.23 167.18 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -126.01 148.07 49.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.74 84.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.7 p -115.58 89.18 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -102.88 127.98 49.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m 64.48 114.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -139.39 144.27 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.2 m -98.13 153.98 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.354 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -142.5 114.1 7.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.9 p -161.73 97.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.79 175.47 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -50.23 170.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 t -42.44 97.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.972 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ASN . 1.6 ttpm? -165.51 108.16 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.01 -166.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.47 149.6 55.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.651 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -75.03 62.75 5.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.53 HG23 ' HB3' ' A' ' 20' ' ' GLU . 73.4 p -117.03 152.96 33.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -43.08 -58.89 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.13 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -76.12 57.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.401 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 21.2 tp -96.74 -27.46 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.66 -42.91 70.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -96.14 36.36 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.651 HD13 ' HA ' ' A' ' 21' ' ' PRO . 9.4 tp -92.32 158.84 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.453 ' H ' HD12 ' A' ' 29' ' ' LEU . 19.3 t0 -120.41 84.65 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.94 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -53.45 -23.37 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -20.34 59.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.47 73.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.784 ' CE2' HD21 ' A' ' 62' ' ' LEU . 38.5 m-85 -45.73 119.11 2.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 13.2 tt0 -90.23 -0.91 57.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.66 168.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 159.43 41.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' SER . 28.0 mt-10 -76.13 -3.32 35.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -123.95 21.42 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.406 HD13 ' HD2' ' A' ' 37' ' ' PRO . 51.3 tp -40.46 -59.16 1.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -102.36 54.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.51 131.3 49.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.63 42.46 20.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.26 109.32 13.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 3.7 mtm-85 -91.13 111.19 22.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.7 mp -110.68 151.37 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CZ ' HD12 ' A' ' 74' ' ' LEU . 9.9 t80 -114.34 120.16 39.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.871 HD22 HD23 ' A' ' 59' ' ' LEU . 44.9 mt -82.73 120.65 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.616 ' SG ' HG13 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -124.09 130.75 53.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 108.351 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.33 63.1 3.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' O ' HD22 ' A' ' 56' ' ' LEU . 22.0 m-85 -153.16 128.97 10.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.54 133.32 4.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.962 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.37 -111.56 4.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 mtt85 -90.54 -49.99 6.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -45.76 -42.03 11.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 51' ' ' PHE . 9.5 tp -71.22 -68.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 56' ' ' LEU . 2.5 t0 -34.6 -47.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -52.1 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.871 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.29 -48.95 24.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 10.8 mtm180 -47.79 -43.8 27.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -73.62 -41.29 62.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.94 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.3 mp -58.48 -67.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.41 HG13 HD21 ' A' ' 109' ' ' LEU . 17.2 mt -40.89 -54.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -45.51 90.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 19.4 t -55.65 -37.44 68.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -87.38 0.39 85.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.88 -13.92 54.64 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -51.85 160.75 2.16 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 t -112.65 116.16 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.429 ' HD2' HD12 ' A' ' 48' ' ' LEU . 20.1 ttp-105 -80.8 105.35 11.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.485 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -79.92 124.02 28.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -75.79 -16.45 60.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -126.57 167.97 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.679 HD23 ' H ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -107.98 160.86 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.679 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER 170.23 -176.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.07 -16.09 63.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.25 -44.31 72.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.8 t -43.93 128.65 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.532 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.4 p -105.81 -9.99 16.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.686 ' HB2' HG23 ' A' ' 46' ' ' ILE . 26.7 m80 -158.95 157.2 30.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.738 HG11 HD21 ' A' ' 90' ' ' LEU . 36.1 t -137.01 99.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 1.2 mm -81.53 103.97 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.719 ' CG2' HG13 ' A' ' 103' ' ' VAL . 49.0 t -86.21 122.83 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.41 -47.24 3.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.545 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 1.5 t0 -122.74 -46.35 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 8.1 p90 -164.45 153.75 13.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.548 ' OD1' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -112.75 85.67 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' LYS . 86.8 m-20 -93.51 -52.33 4.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -37.58 -36.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.738 HD21 HG11 ' A' ' 81' ' ' VAL . 2.8 mm? -50.65 -52.06 43.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' ASP . 13.3 mttt -38.69 -53.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -55.48 -54.53 42.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CD2' HD22 ' A' ' 74' ' ' LEU . 20.1 t80 -57.26 -43.82 83.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.581 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 16.3 m0 -63.8 -27.42 69.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.11 -10.02 59.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.89 -83.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 63.0 m -95.64 157.73 15.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.52 98.92 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -155.4 149.37 25.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.566 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -125.46 90.46 50.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 166.66 28.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -78.32 101.79 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.631 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.719 HG13 ' CG2' ' A' ' 83' ' ' VAL . 97.1 t -90.2 96.88 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 124' ' ' TYR . 35.4 m -124.8 178.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.37 151.54 17.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.615 ' HB3' HD22 ' A' ' 23' ' ' LEU . . . -42.58 -37.95 1.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' ALA . 16.1 tttt -38.68 -48.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.554 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 54.2 t90 -52.42 -67.45 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 109' ' ' LEU . 10.6 tp -40.02 -59.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.404 HD23 HD22 ' A' ' 62' ' ' LEU . 42.1 mt -39.91 -62.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 1.9 mm-40 -55.38 -41.86 73.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 43.2 m -52.21 -51.2 59.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.522 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 24.0 m-85 -71.97 -43.96 64.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.0 t -56.53 -39.38 73.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.726 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.4 mmtt -80.89 -25.46 37.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.441 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 94.61 -11.15 70.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.808 ' CE2' HD23 ' A' ' 119' ' ' LEU . 11.7 p90 -139.46 148.24 42.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 75.6 mtp -59.98 137.66 58.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.808 HD23 ' CE2' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -111.56 176.92 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.454 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 2.6 p -62.04 147.02 48.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 125' ' ' ILE . 3.7 mt-10 -95.66 -11.16 27.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 18.9 mt-10 -65.7 -43.76 61.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.98 11.59 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.524 ' O ' HG12 ' A' ' 104' ' ' VAL . 96.6 m-85 -149.85 43.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 26.1 mm -90.49 149.84 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.429 ' HB3' HG12 ' A' ' 103' ' ' VAL . 1.9 t-80 -114.04 107.49 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 t -112.56 172.82 6.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -124.15 107.97 1.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 130' ' ' SER . 18.4 Cg_endo -74.98 -42.26 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 129' ' ' PRO . 0.5 OUTLIER 41.99 92.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.17 131.63 50.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -147.39 153.86 40.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -164.91 166.81 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.33 -164.56 18.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -178.91 147.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 110.01 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.39 156.48 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.6 165.71 16.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.82 169.22 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -139.11 79.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.312 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 p -166.67 79.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.89 112.81 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 p -145.9 149.76 34.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.329 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -142.92 138.92 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.93 103.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.25 158.54 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -147.25 119.65 8.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -43.46 125.8 4.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.3 124.69 47.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp 60.43 150.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -56.18 144.76 59.18 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.4 Cg_endo -74.97 58.59 4.92 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 p -96.27 173.91 7.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.713 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -63.47 -63.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.23 -56.52 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -88.14 58.82 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.873 HD12 HD23 ' A' ' 29' ' ' LEU . 50.8 tp -98.05 -35.28 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.587 1.179 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -65.8 -48.64 71.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -73.49 -28.93 62.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.873 HD23 HD12 ' A' ' 26' ' ' LEU . 2.0 tp -46.15 141.28 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.0 t0 -108.12 93.58 4.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.804 HG23 ' HG ' ' A' ' 62' ' ' LEU . 1.7 p -52.44 -35.92 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -64.25 -10.9 26.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -73.58 -46.7 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.797 ' CE2' HD21 ' A' ' 62' ' ' LEU . 52.9 m-85 -48.61 126.47 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -92.22 4.79 52.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.73 167.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.95 167.63 26.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -86.5 10.78 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.33 22.56 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 116' ' ' GLY . 54.2 tp -41.76 -67.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.872 HD11 HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -93.29 54.24 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.64 128.08 34.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.97 40.29 72.43 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.6 m -123.26 114.73 20.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' CD ' ' CE1' ' A' ' 71' ' ' PHE . 9.9 mtm-85 -95.58 111.32 23.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.502 HG21 ' CG1' ' A' ' 82' ' ' ILE . 1.5 mp -111.31 156.58 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.721 ' HB3' HG22 ' A' ' 81' ' ' VAL . 70.6 t80 -120.2 123.25 42.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.945 HD22 HD23 ' A' ' 59' ' ' LEU . 97.0 mt -92.52 129.77 38.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -145.27 139.08 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.58 69.05 1.42 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.68 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 7.2 m-85 -147.48 -78.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.415 ' N ' ' HB2' ' A' ' 56' ' ' LEU . 4.0 p 53.33 173.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.84 -157.72 15.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -55.51 -46.35 76.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.2 -50.0 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.486 HD12 HD13 ' A' ' 48' ' ' LEU . 27.5 tp -66.15 -57.22 8.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.46 -42.12 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ARG . 46.6 mmtt -55.16 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.945 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -42.19 -48.84 4.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -49.41 -40.41 36.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' LYS . 77.6 mtt180 -78.52 -40.67 34.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.84 HD23 ' CD2' ' A' ' 113' ' ' PHE . 1.0 OUTLIER -60.88 -65.82 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.457 HG13 HD21 ' A' ' 109' ' ' LEU . 16.5 mt -39.3 -54.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.85 -45.14 82.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -58.67 -23.5 59.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -97.92 -14.84 38.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.65 -15.77 61.43 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.22 167.83 0.82 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.2 t -118.14 117.92 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.503 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.46 105.58 9.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.446 ' CE1' ' CD ' ' A' ' 45' ' ' ARG . 1.3 m-85 -79.68 129.56 34.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.49 ' OD1' ' CZ ' ' A' ' 70' ' ' ARG . 2.2 m120 -96.15 10.42 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -143.13 149.65 38.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -93.26 122.23 35.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -154.28 -177.22 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -74.14 -26.84 60.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -57.07 -34.86 68.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.48 130.23 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.454 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 50.2 p -105.15 -14.63 15.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.481 ' HB2' HG23 ' A' ' 46' ' ' ILE . 21.2 m80 -155.95 159.04 38.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.768 HG11 ' CD1' ' A' ' 90' ' ' LEU . 44.7 t -138.97 104.71 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.693 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.1 mm -85.6 112.69 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.595 ' CG2' HG13 ' A' ' 103' ' ' VAL . 44.4 t -101.87 138.5 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.9 -44.92 1.69 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 3.8 m-20 -124.46 -45.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 11.0 p90 -167.74 165.15 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' OD2' HD13 ' A' ' 90' ' ' LEU . 15.6 p-10 -130.55 100.06 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' GLU . 9.5 m-20 -93.73 -54.61 3.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' ASP . 2.6 tt0 -38.23 -45.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.768 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -44.97 -57.27 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -40.07 -44.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.74 -46.65 81.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.46 ' CG ' HD12 ' A' ' 74' ' ' LEU . 11.9 t80 -64.1 -25.79 68.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.576 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 5.9 m0 -75.43 -23.16 56.93 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -90.93 -7.85 50.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -99.74 -72.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.406 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 68.5 m -103.69 157.8 16.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -99.74 99.3 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -162.15 149.27 13.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.564 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -121.2 91.3 48.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.66 30.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.406 ' CB ' ' OE1' ' A' ' 121' ' ' GLU . 15.0 m170 -83.4 102.52 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.592 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.645 HG12 ' HB3' ' A' ' 126' ' ' HIS . 94.5 t -91.49 94.6 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 124' ' ' TYR . 27.2 m -120.68 174.63 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.77 149.72 18.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.713 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.56 -37.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' ALA . 6.0 tttm -38.34 -41.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 124' ' ' TYR . 50.0 t90 -63.32 -69.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.872 HD11 HD11 ' A' ' 41' ' ' LEU . 17.5 tp -41.56 -48.42 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 mt -48.58 -63.52 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.5 mm-40 -51.11 -44.66 61.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 73.4 m -51.06 -59.61 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.84 ' CD2' HD23 ' A' ' 62' ' ' LEU . 23.6 m-85 -63.47 -7.47 6.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.48 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.69 -41.77 11.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.2 OUTLIER -87.48 -25.2 23.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.66 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 97.75 -12.51 64.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.751 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.5 p90 -129.54 145.72 51.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 70.5 mtp -60.35 143.95 51.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.751 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -117.14 176.82 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.44 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 23.5 m -64.0 147.06 52.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.543 ' CB ' HG11 ' A' ' 104' ' ' VAL . 29.5 mt-10 -95.48 -19.45 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 21.0 mt-10 -55.79 -44.22 99.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.12 5.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.576 ' O ' HG12 ' A' ' 104' ' ' VAL . 97.6 m-85 -141.76 44.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 31.1 mm -87.87 149.52 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.645 ' HB3' HG12 ' A' ' 103' ' ' VAL . 5.0 t-80 -111.53 107.66 16.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 62.5 m -114.48 150.43 34.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -88.36 -163.41 39.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.95 13.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.441 1.758 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.47 155.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 p -138.92 117.08 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 p -124.28 108.01 11.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.04 79.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.06 -149.13 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.549 1.155 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 p -163.64 157.61 19.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 m -66.24 -64.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.47 -91.07 0.59 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p 71.63 153.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.36 97.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.05 164.54 15.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 tt -60.53 124.85 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -147.68 161.26 41.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.319 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -53.84 162.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 t -156.49 140.1 15.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.04 138.71 19.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 64.28 79.92 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.24 109.55 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -72.38 133.95 45.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 mp -87.69 -170.14 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.544 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -62.06 149.54 86.04 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 1.009 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo -75.0 70.64 5.25 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.544 HG23 ' HB3' ' A' ' 20' ' ' GLU . 71.5 p -122.62 165.53 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.136 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -62.27 -62.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -42.58 -26.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 23' ' ' LEU . 1.3 m-20 -120.0 58.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -86.14 -35.96 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -66.87 -35.53 80.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.48 38.18 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.009 HD13 ' HA ' ' A' ' 21' ' ' PRO . 14.2 tp -100.66 136.99 39.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' H ' HD12 ' A' ' 29' ' ' LEU . 50.6 t0 -97.96 98.03 9.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.977 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -69.44 -19.36 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.62 6.22 32.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.474 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -92.7 -44.46 8.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.975 ' CE2' HD21 ' A' ' 62' ' ' LEU . 65.8 m-85 -47.66 118.62 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 17.7 tt0 -87.57 -2.43 58.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.654 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.3 169.91 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.95 157.4 43.01 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 65' ' ' SER . 4.4 mt-10 -74.36 -2.29 24.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.02 27.71 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.502 HD23 ' CE1' ' A' ' 113' ' ' PHE . 38.5 tp -46.49 -62.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -101.08 41.17 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -46.27 128.38 9.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.06 42.45 39.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.7 m -119.21 110.19 16.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 5.3 mtt-85 -93.21 109.54 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.513 HG21 ' CG1' ' A' ' 82' ' ' ILE . 1.6 mt -110.29 140.86 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.735 ' CZ ' HD12 ' A' ' 74' ' ' LEU . 27.9 t80 -94.91 114.66 26.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.069 HD22 HD13 ' A' ' 59' ' ' LEU . 63.9 mt -84.31 116.61 23.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' PHE . 4.4 t -117.9 163.68 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.317 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.08 -65.52 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.682 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 18.6 m-85 -37.46 140.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 t -156.41 -49.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.039 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.84 -116.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -81.14 -43.5 19.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.813 ' HB3' HD13 ' A' ' 26' ' ' LEU . 3.2 mttt -40.04 -40.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.539 HD12 HD13 ' A' ' 48' ' ' LEU . 18.2 tp -71.8 -64.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' LEU . 8.6 t0 -39.85 -45.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 29' ' ' LEU . 24.6 mmtt -56.65 -61.91 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.069 HD13 HD22 ' A' ' 48' ' ' LEU . 71.0 mt -48.81 -50.91 32.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG2' ' CD ' ' A' ' 70' ' ' ARG . 63.2 mtp180 -43.71 -26.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 59' ' ' LEU . 91.7 mtt180 -92.51 -39.39 11.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.977 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -64.56 -63.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.849 HD11 HD21 ' A' ' 48' ' ' LEU . 3.2 mt -48.63 -31.17 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.03 -47.16 16.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -53.85 -48.09 70.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -72.32 -2.08 53.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.31 -15.57 53.35 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -48.42 172.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.94 113.39 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.722 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -76.03 120.04 20.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -103.38 124.64 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -78.19 -18.73 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -119.41 164.45 15.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.735 HD12 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -105.31 158.6 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.433 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.5 OUTLIER 167.82 173.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -56.57 -16.86 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -70.96 -27.04 63.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.423 HG11 HG22 ' A' ' 81' ' ' VAL . 43.6 t -66.95 125.48 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.559 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 31.9 p -101.65 -12.49 18.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 79' ' ' THR . 23.6 m80 -159.96 143.69 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.923 HG11 HD22 ' A' ' 90' ' ' LEU . 72.7 t -122.18 102.74 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.513 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.5 mm -83.17 100.79 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.02 HG22 ' OD2' ' A' ' 87' ' ' ASP . 87.2 t -82.06 138.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.13 -17.18 5.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -132.54 -69.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.504 ' CG ' ' N ' ' A' ' 87' ' ' ASP . 8.3 p90 -159.02 -40.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.02 ' OD2' HG22 ' A' ' 83' ' ' VAL . 6.2 m-20 68.1 110.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.411 ' HB2' ' CE2' ' A' ' 86' ' ' TYR . 1.8 t0 -94.42 -45.2 7.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' GLN . 2.3 tt0 -44.87 -41.64 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.923 HD22 HG11 ' A' ' 81' ' ' VAL . 1.1 tp -46.6 -35.65 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -71.31 -41.78 69.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -67.6 -47.84 68.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.48 ' CG ' HD22 ' A' ' 74' ' ' LEU . 32.4 t80 -56.17 -30.67 62.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -71.56 -20.89 61.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 107.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -6.14 42.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -99.55 -82.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.8 m -93.86 157.84 15.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.961 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.16 98.9 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -164.06 153.12 13.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.633 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.25 89.49 51.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.361 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.448 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.94 155.78 43.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.438 1.757 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -71.59 101.6 2.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.562 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.852 HG22 HD21 ' A' ' 90' ' ' LEU . 46.7 t -87.78 94.72 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 121' ' ' GLU . 33.3 m -129.41 179.29 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -107.1 150.52 16.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 1.136 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.17 -37.35 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.734 ' H ' HD23 ' A' ' 23' ' ' LEU . 7.9 tttt -39.72 -43.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 36.2 t90 -57.96 -65.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 41' ' ' LEU . 18.2 tp -40.74 -58.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.584 HD22 HD21 ' A' ' 29' ' ' LEU . 23.9 mt -39.12 -59.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 1.2 mm-40 -57.18 -39.02 74.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 34.3 m -54.44 -50.21 68.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.557 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 28.5 m-85 -74.68 -43.13 56.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.3 t -56.59 -40.19 74.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.752 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.6 mmtt -80.61 -25.77 38.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.431 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 98.18 -13.72 63.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.731 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.1 p90 -139.45 150.61 45.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 37.3 mtp -61.1 140.08 57.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.752 HD11 ' HG3' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -113.71 177.01 4.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.464 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 52.9 m -61.7 143.23 56.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.058 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.564 ' HB3' HG11 ' A' ' 104' ' ' VAL . 0.7 OUTLIER -95.97 -10.99 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 26.5 mt-10 -66.62 -43.04 49.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.6 Cg_endo -74.94 3.02 5.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.462 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 80.0 m-85 -136.56 38.03 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 18.3 mm -83.59 149.24 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -113.88 116.79 29.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.88 -67.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 170.46 -118.13 0.74 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -55.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.4 119.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.23 148.6 50.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -146.17 168.2 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -48.97 169.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.049 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 -156.09 32.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.2 p -165.26 168.96 16.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -167.98 146.64 4.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.55 159.96 24.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -59.23 100.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.985 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.5 mt-10 -154.79 151.56 28.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 m -56.45 112.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 9' ' ' GLU . 1.1 pp -130.08 151.91 36.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.07 139.32 42.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -132.1 156.52 46.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.6 145.53 24.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -67.01 161.8 23.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -152.55 154.02 34.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 t 61.12 54.5 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -43.15 111.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER 61.03 145.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.538 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -47.14 148.62 1.98 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.24 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 67.81 5.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.538 HG23 ' HB3' ' A' ' 20' ' ' GLU . 71.0 p -116.47 173.39 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.835 ' CD1' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -71.11 -54.03 12.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -40.48 -30.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' LEU . 2.1 m-80 -129.0 51.4 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 26' ' ' LEU . 11.1 tp -77.61 -35.84 52.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -74.06 -15.43 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -107.35 -8.86 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.988 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.9 128.18 34.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.756 ' N ' HD22 ' A' ' 29' ' ' LEU . 13.9 t70 -89.1 94.01 9.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.764 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.4 p -51.85 -34.92 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -63.22 -14.56 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -69.51 -47.65 63.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.618 ' CE2' HD21 ' A' ' 62' ' ' LEU . 55.2 m-85 -46.99 122.24 4.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -92.8 1.89 57.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -46.08 168.22 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.03 159.22 41.5 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.87 -0.08 22.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -126.71 18.87 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.474 HD22 ' HB1' ' A' ' 36' ' ' ALA . 36.9 tp -39.4 -52.39 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' ' CA ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -109.61 66.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -73.72 128.31 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.53 41.81 49.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.9 m -118.4 118.29 31.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 71' ' ' PHE . 38.9 mtm-85 -97.56 109.75 22.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 80' ' ' HIS . 2.4 mt -113.49 154.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.785 ' CE2' HD12 ' A' ' 74' ' ' LEU . 4.5 t80 -119.04 119.04 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.896 HD22 HD23 ' A' ' 59' ' ' LEU . 68.4 mt -84.72 129.6 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.77 140.98 34.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 108.292 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.8 40.49 57.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.528 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 27.7 m-85 -139.3 132.79 30.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.0 p -160.03 139.74 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.79 -118.37 5.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -52.43 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -41.52 -55.98 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' ASP . 8.3 tp -60.12 -61.2 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -39.67 -46.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' HD12 ' A' ' 62' ' ' LEU . 67.5 mmtt -56.63 -68.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.896 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.01 -43.32 19.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -54.32 -36.26 63.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -81.14 -34.87 32.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.225 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.764 ' HG ' HG23 ' A' ' 31' ' ' VAL . 2.5 mp -63.05 -68.58 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.441 HG13 HD21 ' A' ' 109' ' ' LEU . 5.4 mt -38.77 -55.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -59.18 -44.65 92.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 45.1 t -60.29 -21.65 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -101.56 -13.1 33.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.6 -12.1 67.88 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -53.42 155.0 6.54 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t -100.57 109.4 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -75.78 101.1 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CZ ' ' HD2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -78.06 123.58 27.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -76.34 -14.6 60.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -132.64 172.33 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.785 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -107.98 168.95 8.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.54 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.6 OUTLIER 166.22 -174.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -73.4 -3.25 26.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -43.82 15.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG11 HG22 ' A' ' 81' ' ' VAL . 78.4 t -45.55 131.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.55 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 72.7 p -105.42 -16.16 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.595 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 1.7 m80 -161.19 142.39 11.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.005 HG11 HD12 ' A' ' 90' ' ' LEU . 25.6 t -124.0 107.43 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.513 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.3 mm -75.75 102.46 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.613 HG12 ' CE1' ' A' ' 126' ' ' HIS . 72.8 t -95.34 114.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.16 -71.53 1.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -106.22 -34.75 7.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -176.26 164.33 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.45 ' HB3' HG22 ' A' ' 83' ' ' VAL . 5.0 p-10 -131.06 117.39 19.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -92.62 -56.64 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -42.32 -50.29 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.005 HD12 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -47.78 -60.45 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' LEU . 77.3 mttt -38.69 -41.42 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -46.8 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.535 ' CD2' HD22 ' A' ' 74' ' ' LEU . 49.5 t80 -60.3 -23.41 64.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.591 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 6.2 m0 -74.01 -12.99 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 108.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -117.05 11.3 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -107.78 -77.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.8 m -105.39 158.12 16.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.2 97.34 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -162.68 152.75 16.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.611 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.11 90.79 50.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.663 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.99 139.72 24.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.595 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 37.7 m80 -62.54 99.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.447 HG13 ' H ' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -88.68 121.26 38.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 124' ' ' TYR . 26.8 m -147.29 175.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.35 150.06 18.0 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.835 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -42.04 -36.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 110' ' ' LEU . 8.1 tttt -41.51 -45.6 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.599 ' CZ3' ' OE2' ' A' ' 121' ' ' GLU . 58.1 t90 -55.11 -68.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.441 HD21 HG13 ' A' ' 63' ' ' ILE . 12.7 tp -39.77 -51.11 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 107' ' ' LYS . 74.8 mt -49.27 -56.45 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.7 mm-40 -60.55 -35.89 77.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.572 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 30.8 m -58.04 -58.77 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.524 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 35.8 m-85 -67.43 -33.54 75.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.4 t -65.63 -43.32 89.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.775 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.1 mmtt -79.86 -19.66 47.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.412 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 89.0 -13.06 64.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.865 ' CE2' HD23 ' A' ' 119' ' ' LEU . 21.3 p90 -136.58 138.04 40.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 85.3 mtp -54.07 134.52 43.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.865 HD23 ' CE2' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -106.88 176.6 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.462 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 60.6 m -60.52 141.73 56.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.599 ' OE2' ' CZ3' ' A' ' 108' ' ' TRP . 2.6 mt-10 -96.06 -12.68 24.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 23.5 mt-10 -67.36 -44.24 45.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.96 2.1 6.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.515 ' O ' HG12 ' A' ' 104' ' ' VAL . 76.2 m-85 -137.03 37.54 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 11.3 mm -78.52 135.92 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.613 ' CE1' HG12 ' A' ' 83' ' ' VAL . 36.9 t-80 -99.02 107.02 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.644 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.8 p -115.02 -70.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -171.61 -145.73 4.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 163.79 34.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.46 157.38 8.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.65 163.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 t -168.23 95.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.15 167.85 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.94 -105.5 0.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.9 p -163.16 131.17 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 0.739 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -95.15 170.24 9.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 110.008 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.3 119.32 3.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.6 p -140.45 144.54 36.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 110.033 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.73 129.19 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.3 p -172.32 147.97 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 tp -115.89 136.56 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -124.05 153.12 41.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 108.249 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -123.84 151.33 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.9 t -122.49 133.37 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.99 169.25 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -55.95 100.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.7 145.82 21.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.29 145.7 34.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mt -154.25 164.55 38.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.582 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -50.59 149.76 5.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 67.57 5.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.564 1.823 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.582 HG23 ' HB3' ' A' ' 20' ' ' GLU . 32.5 p -109.05 164.07 12.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.908 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -59.64 -54.47 46.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.5 -52.92 33.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -88.93 54.39 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.954 HD12 HD23 ' A' ' 29' ' ' LEU . 29.2 tp -97.2 -27.55 14.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -77.61 -44.34 28.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -81.11 -10.26 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.954 HD23 HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -65.88 141.92 58.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 18.6 t0 -103.38 94.11 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.783 HG23 ' HG ' ' A' ' 62' ' ' LEU . 1.5 p -55.68 -34.76 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -10.53 35.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.28 -47.81 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 29' ' ' LEU . 63.7 m-85 -50.09 130.28 22.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -98.67 10.16 41.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -49.98 169.78 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.07 166.0 30.03 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -83.39 3.01 33.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -134.46 23.21 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.832 HD13 ' O ' ' A' ' 116' ' ' GLY . 44.1 tp -38.93 -67.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -87.78 54.88 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.44 117.86 14.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.51 77.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.0 m -125.98 105.53 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.473 ' HA ' HG12 ' A' ' 69' ' ' VAL . 73.1 mtm180 -89.43 112.07 23.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.591 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.6 mp -103.72 163.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.731 ' HD2' HG13 ' A' ' 81' ' ' VAL . 55.4 t80 -126.26 113.96 17.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.876 HD22 HD23 ' A' ' 59' ' ' LEU . 67.8 mt -82.22 130.16 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -147.38 108.72 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.248 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.64 52.95 1.08 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.456 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 44.7 m-85 -151.08 132.15 14.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.2 t -163.42 148.58 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.964 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.48 -102.5 2.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.74 -54.64 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -40.55 -46.11 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 51' ' ' PHE . 3.4 tp -67.01 -63.07 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -38.41 -36.21 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 44.4 mmtt -64.24 -67.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.876 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -46.04 -34.99 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.464 ' HG2' ' CD ' ' A' ' 70' ' ' ARG . 3.4 mtt-85 -62.17 -43.59 98.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -76.73 -38.21 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.783 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -63.07 -67.25 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.532 HG21 ' O ' ' A' ' 69' ' ' VAL . 28.2 mt -39.64 -54.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -57.62 -43.52 84.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' LEU . 12.7 t -60.16 -23.04 63.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -104.1 -6.52 42.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.22 -9.57 66.43 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -56.49 171.85 2.18 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.532 ' O ' HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -101.77 169.35 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.694 ' HG3' HD12 ' A' ' 48' ' ' LEU . 49.0 ttp85 -136.72 85.16 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.476 ' CE1' HG11 ' A' ' 69' ' ' VAL . 3.2 m-85 -82.66 157.4 23.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -120.66 -0.32 10.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -127.2 146.38 50.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.646 HD22 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -87.57 122.91 31.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -147.01 -173.39 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -80.82 -27.26 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -33.51 72.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.4 t -55.33 124.24 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.476 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 52.6 p -103.05 -11.21 18.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.41 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.591 ' HB2' HG23 ' A' ' 46' ' ' ILE . 38.1 m80 -155.12 152.62 29.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.731 HG13 ' HD2' ' A' ' 47' ' ' TYR . 54.3 t -134.2 104.84 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.506 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.1 mm -85.12 109.45 18.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.649 ' CG2' HG13 ' A' ' 103' ' ' VAL . 19.5 t -98.08 121.23 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -88.54 -42.98 5.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.29 -44.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -167.59 173.38 8.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -142.47 106.82 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.61 -49.34 5.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.0 OUTLIER -41.89 -52.97 3.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.725 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -40.95 -58.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LEU . 50.7 mttt -39.38 -39.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -73.52 -45.87 51.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' LEU . 40.6 t80 -62.28 -29.12 70.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.492 ' CH2' HD22 ' A' ' 90' ' ' LEU . 2.6 m0 -72.21 -17.95 61.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -102.89 7.69 39.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -111.59 -82.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 m -97.41 157.8 15.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.54 98.53 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -159.41 150.2 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.613 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -120.06 91.05 45.29 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.03 39.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.49 ' CG ' ' OE1' ' A' ' 121' ' ' GLU . 15.9 m170 -85.05 102.03 12.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.643 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.649 HG13 ' CG2' ' A' ' 83' ' ' VAL . 93.7 t -90.98 110.65 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 124' ' ' TYR . 28.5 m -138.54 172.98 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.48 151.86 19.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.908 ' HB3' HD22 ' A' ' 23' ' ' LEU . . . -42.09 -38.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 106' ' ' ALA . 12.3 tttt -39.78 -33.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.456 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 62.2 t90 -67.03 -69.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 41' ' ' LEU . 15.5 tp -41.0 -48.83 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.629 HD22 HD21 ' A' ' 29' ' ' LEU . 74.8 mt -50.18 -62.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 3.6 mm-40 -52.17 -42.69 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.456 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 74.7 m -52.46 -56.08 17.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.75 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -67.69 -5.42 15.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.534 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.22 -42.9 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -85.29 -26.32 26.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.832 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 106.68 -18.65 37.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -128.55 168.73 15.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 26.6 mtp -73.02 144.54 47.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.596 HD21 ' HD3' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -112.36 177.31 4.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.469 ' HB2' ' CG ' ' A' ' 123' ' ' PRO . 72.4 m -67.68 150.29 48.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.49 ' OE1' ' CG ' ' A' ' 102' ' ' HIS . 3.4 mt-10 -95.72 -31.32 13.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 19.5 mt-10 -50.97 -45.79 87.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -74.99 2.39 6.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.682 ' O ' HG12 ' A' ' 104' ' ' VAL . 55.3 m-85 -141.12 44.71 1.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 29.4 mm -87.11 145.66 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -105.64 109.82 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.6 t -115.91 -48.18 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.04 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 168.4 156.04 10.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.157 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 63.19 5.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.0 m 56.14 103.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.75 90.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 41.76 90.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -121.48 152.54 39.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.47 178.75 51.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -167.88 148.28 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 110.031 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -93.3 171.96 8.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.87 95.8 1.65 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.5 p -174.83 119.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.13 127.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -78.17 140.86 38.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 tp -47.29 123.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.8 t -176.84 150.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -130.15 136.22 49.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.3 p -153.56 163.98 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -143.53 176.95 8.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.19 153.35 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.39 136.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER 66.74 145.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -38.46 119.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.65 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.94 149.62 53.75 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.724 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.6 Cg_endo -74.94 66.65 5.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.05 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 20' ' ' GLU . 82.0 p -109.24 159.62 16.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -58.01 -53.09 62.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -38.62 -34.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.566 ' CG ' ' HG1' ' A' ' 22' ' ' THR . 4.4 p30 -122.98 50.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.575 ' HB2' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.09 -34.39 56.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 23.8 mt-10 -73.02 -29.61 63.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.01 18.87 21.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 21' ' ' PRO . 9.3 tp -78.79 161.42 26.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.575 ' H ' HD12 ' A' ' 29' ' ' LEU . 22.4 t0 -125.37 87.92 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.947 HG23 ' HG ' ' A' ' 62' ' ' LEU . 6.5 p -54.72 -27.75 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.39 -0.61 20.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -83.96 -45.19 13.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.805 ' CE2' HD21 ' A' ' 62' ' ' LEU . 58.9 m-85 -53.78 131.72 40.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 36' ' ' ALA . 8.6 mm-40 -100.81 0.36 38.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.62 168.05 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.96 159.81 41.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -74.63 -11.24 60.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -115.36 20.51 14.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 116' ' ' GLY . 47.9 tp -39.58 -55.64 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' HB2' ' CA ' ' A' ' 68' ' ' GLY . 0.1 OUTLIER -105.19 51.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.43 129.47 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.41 41.66 48.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.0 m -115.1 120.78 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -103.06 102.55 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.477 ' CG2' HG12 ' A' ' 82' ' ' ILE . 3.7 mt -108.02 157.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.588 ' HD1' HG13 ' A' ' 81' ' ' VAL . 16.5 t80 -123.89 124.01 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.812 HD23 ' HB ' ' A' ' 82' ' ' ILE . 85.9 mt -88.57 145.5 25.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' CB ' ' OD2' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -164.11 149.25 10.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.36 59.71 8.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.571 1.17 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.507 ' CE2' HD23 ' A' ' 59' ' ' LEU . 18.7 m-85 -147.67 -84.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER 52.49 102.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.72 -152.3 16.88 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' CD ' ' HB3' ' A' ' 27' ' ' GLU . 58.7 mtt180 -48.09 -60.08 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.304 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 26' ' ' LEU . 16.1 mttt -42.62 -44.25 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.549 HD12 HD13 ' A' ' 48' ' ' LEU . 53.9 tp -66.85 -69.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 56' ' ' LEU . 19.2 t70 -37.8 -47.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -47.95 -64.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.788 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -50.77 -45.76 59.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -52.82 -39.04 62.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -79.8 -35.68 38.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.947 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -65.57 -67.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.8 HG13 HD21 ' A' ' 109' ' ' LEU . 13.7 mt -40.85 -54.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.55 -41.92 86.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' LEU . 32.5 t -64.46 -15.62 61.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -109.05 -1.88 31.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.88 -12.29 53.73 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -54.25 159.88 4.86 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 71' ' ' PHE . 7.2 t -107.09 110.53 32.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.776 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.449 ' HD2' HD12 ' A' ' 48' ' ' LEU . 1.3 ttp180 -82.93 96.45 8.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.458 ' CD1' HG12 ' A' ' 69' ' ' VAL . 1.3 m-30 -75.3 149.25 38.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -114.63 -3.87 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -118.82 144.32 46.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.649 HD12 ' CG ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -88.69 117.82 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.76 164.16 38.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.35 -18.43 17.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -41.14 98.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.572 HG11 HG22 ' A' ' 81' ' ' VAL . 74.4 t -51.66 132.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.571 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 43.9 p -105.22 -17.38 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.608 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 0.5 OUTLIER -161.82 142.94 10.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.648 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.675 HG23 ' HB2' ' A' ' 101' ' ' PRO . 42.7 t -120.7 106.89 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.812 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.7 mm -75.26 101.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.579 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 60.5 t -98.41 125.99 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.77 -52.9 2.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -120.38 -43.94 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -174.88 154.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.502 ' OD2' ' CB ' ' A' ' 49' ' ' CYS . 4.2 t0 -120.9 112.31 18.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.436 ' OD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.5 m-20 -75.26 -56.9 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -56.98 5.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -40.27 -61.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -41.14 -47.69 3.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -69.44 -52.32 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.649 ' CG ' HD12 ' A' ' 74' ' ' LEU . 45.5 t80 -55.05 -25.86 33.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -72.39 -12.32 61.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -117.65 12.42 14.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -111.26 -76.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.8 m -97.72 157.75 15.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.66 98.29 10.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -165.48 157.88 15.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.586 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -126.47 90.25 50.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.675 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 139.57 24.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.608 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 37.8 m80 -61.74 99.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.585 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -89.49 116.8 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 121' ' ' GLU . 35.3 m -144.59 176.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.6 149.6 17.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.103 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.928 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -41.73 -37.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.595 ' H ' HD23 ' A' ' 23' ' ' LEU . 11.4 tttt -39.5 -46.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.598 ' CH2' ' OE2' ' A' ' 121' ' ' GLU . 53.2 t90 -54.19 -66.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 107.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.8 HD21 HG13 ' A' ' 63' ' ' ILE . 8.2 tp -39.97 -53.72 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' SER . 30.6 mt -46.92 -60.38 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.4 mm-40 -55.1 -38.09 67.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.58 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 57.0 m -59.26 -58.27 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.27 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.555 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.6 m-85 -67.36 -24.28 65.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 110' ' ' LEU . 18.5 t -76.4 -39.65 53.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.847 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.7 mmtt -82.18 -25.45 34.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.493 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 97.83 -14.17 63.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.705 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 3.7 p90 -138.63 140.26 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 70.3 mtp -52.83 137.33 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.847 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.7 mt -110.5 175.1 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.481 ' HB2' ' CG ' ' A' ' 123' ' ' PRO . 50.7 m -56.73 139.07 51.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.598 ' OE2' ' CH2' ' A' ' 108' ' ' TRP . 2.9 mt-10 -96.06 -10.05 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.631 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 15.0 mt-10 -70.39 -43.85 17.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.96 3.68 5.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.468 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 69.9 m-85 -137.05 33.24 2.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 5.7 mm -73.62 138.67 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.579 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 7.9 t60 -100.28 105.78 17.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.589 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.3 t -121.73 -71.46 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 153.38 92.53 0.09 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.37 37.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.5 m 68.73 166.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -173.73 131.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -83.91 157.06 22.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.4 113.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.172 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.4 164.24 29.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.27 -58.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -172.85 150.52 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.77 -163.78 13.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t 63.76 90.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 0.798 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.16 127.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.96 -58.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.5 tt -42.93 162.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 p -148.04 152.93 38.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.38 140.65 46.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 98.2 p -106.12 133.54 50.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -174.83 133.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -94.07 94.86 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 1.4 m -168.79 136.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.54 140.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mt -154.58 176.56 12.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.79 157.66 10.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.875 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.4 Cg_endo -74.99 54.93 3.78 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.6 p -102.99 165.29 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.032 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -59.5 -57.6 12.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.43 -22.61 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -121.69 61.32 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.903 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -93.21 -46.26 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.29 -28.73 65.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 17' ' ' SER . 3.3 m-80 -111.53 41.93 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.875 HD13 ' HA ' ' A' ' 21' ' ' PRO . 25.5 tp -100.31 154.8 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.527 ' H ' HD12 ' A' ' 29' ' ' LEU . 63.2 t0 -118.91 83.3 2.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.991 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -52.74 -23.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.03 20.5 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -105.8 -42.8 5.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.653 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 79.4 m-85 -55.26 121.01 7.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -79.22 -1.91 38.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -43.26 164.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 158.8 42.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.567 1.825 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.27 1.46 21.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.87 19.54 7.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 66' ' ' GLY . 45.9 tp -40.97 -59.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -100.91 63.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.14 123.36 25.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.32 37.54 87.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.9 m -123.64 109.72 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -88.62 126.01 35.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.626 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.3 mp -125.9 148.2 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.697 ' HB2' HG21 ' A' ' 78' ' ' VAL . 82.5 t80 -114.53 119.07 35.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' ' 59' ' ' LEU . 44.5 mt -82.11 121.88 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.805 ' SG ' HG13 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -128.6 148.87 50.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 59.29 37.95 92.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.854 ' O ' HD22 ' A' ' 56' ' ' LEU . 20.0 m-85 -137.48 119.21 15.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.98 -66.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.13 -170.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -38.85 -36.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.903 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.5 mttt -41.73 -50.79 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.854 HD22 ' O ' ' A' ' 51' ' ' PHE . 10.6 tp -64.79 -59.88 3.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' LEU . 12.6 t70 -39.17 -51.1 1.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -51.01 -70.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.727 ' HB3' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -40.49 -58.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -39.58 -44.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HB3' HG11 ' A' ' 31' ' ' VAL . 40.9 mtt-85 -73.7 -43.13 60.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.991 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.4 mp -59.56 -67.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 62' ' ' LEU . 36.8 mt -38.33 -56.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -44.89 87.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' LEU . 40.5 t -59.37 -31.78 69.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -83.65 -19.78 61.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.67 -13.02 58.07 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -64.68 161.52 39.49 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 t -107.8 121.87 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -89.56 108.94 19.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.633 ' CZ ' ' CB ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -85.86 115.46 23.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 72' ' ' ASN . 8.6 p-10 -73.67 -8.63 56.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -128.8 138.29 51.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.831 HD21 HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -76.28 120.64 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -150.47 -174.0 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 17.6 mt-10 -82.73 8.47 12.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.633 ' CB ' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -88.09 -47.91 8.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.697 HG21 ' HB2' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -62.04 137.96 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.496 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 69.7 p -111.31 -11.23 14.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.626 ' HB2' HG23 ' A' ' 46' ' ' ILE . 2.0 m80 -138.63 147.68 43.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.805 HG13 ' SG ' ' A' ' 49' ' ' CYS . 24.4 t -128.93 94.3 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.458 HG13 HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -76.82 99.99 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.51 ' CG2' HG13 ' A' ' 103' ' ' VAL . 56.8 t -91.43 127.08 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.46 -52.54 1.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.88 -49.93 3.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.412 ' C ' HG13 ' A' ' 83' ' ' VAL . 7.4 p90 -171.64 170.31 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -122.16 83.38 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -94.33 -27.54 16.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -82.69 -51.74 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.831 HD23 HD21 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -51.46 -21.32 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -72.15 -36.55 69.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.76 -42.43 95.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CD2' HD12 ' A' ' 74' ' ' LEU . 36.7 t80 -61.71 -20.37 63.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.708 ' CH2' HD11 ' A' ' 90' ' ' LEU . 4.9 m0 -76.9 -3.86 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.05 11.36 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -118.62 -79.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.547 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 58.7 m -96.52 158.54 15.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.21 98.65 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.428 ' NE2' ' O ' ' A' ' 78' ' ' VAL . 23.4 t60 -161.13 144.97 13.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.27 89.15 53.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.424 ' HB3' ' HE2' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -74.98 168.32 25.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -85.69 101.5 12.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.559 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.51 HG13 ' CG2' ' A' ' 83' ' ' VAL . 54.1 t -85.52 95.6 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.586 HG11 ' HB3' ' A' ' 121' ' ' GLU . 26.7 m -125.52 178.0 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.04 148.14 17.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 1.032 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -41.43 -37.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.539 ' N ' HD23 ' A' ' 23' ' ' LEU . 10.1 tttm -39.81 -46.79 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 57.1 t90 -54.73 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 41' ' ' LEU . 21.2 tp -39.51 -58.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 70.6 mt -41.61 -55.21 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.475 ' HB2' HD12 ' A' ' 119' ' ' LEU . 2.0 mm-40 -59.98 -35.68 75.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.511 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 46.9 m -58.71 -52.94 63.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.74 ' CD2' HD23 ' A' ' 62' ' ' LEU . 35.0 m-85 -71.67 -25.75 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.0 t -73.82 -47.45 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.78 ' HG3' HD11 ' A' ' 119' ' ' LEU . 3.7 mmtt -74.52 -20.98 59.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.41 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 94.84 -13.34 67.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.554 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 10.3 p90 -137.43 166.39 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.5 mtp -73.66 135.65 43.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.78 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.4 mt -109.03 176.73 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.2 m -63.9 145.04 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.586 ' HB3' HG11 ' A' ' 104' ' ' VAL . 5.5 mp0 -96.51 -22.12 17.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 33.1 mt-10 -56.81 -43.7 99.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.2 5.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.511 ' O ' HG12 ' A' ' 104' ' ' VAL . 88.6 m-85 -139.19 41.71 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 25.8 mm -87.48 141.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -104.78 106.87 17.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 t -116.1 -56.9 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.034 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.31 -70.48 0.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.96 27.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.7 m -154.62 118.82 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.1 t -151.15 -58.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 134.49 35.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.36 169.3 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.29 -171.12 34.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.55 169.08 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -130.65 170.64 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.86 -174.12 19.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.127 . . . . 0.0 111.07 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -155.6 152.31 28.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 0.759 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.01 158.19 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -93.04 156.6 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -164.65 118.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.7 m -98.83 154.82 17.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -176.72 147.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.1 p -72.55 121.05 19.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.59 98.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 168.18 174.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.1 t -50.83 116.74 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -79.98 112.65 17.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp 60.25 151.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.549 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -63.18 147.72 94.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HB3' HD23 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -75.03 65.81 6.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.549 HG23 ' HB3' ' A' ' 20' ' ' GLU . 71.1 p -122.56 156.59 33.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.936 ' HG ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -54.89 -44.95 74.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -54.88 -18.04 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -131.57 26.22 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.936 HD12 ' HG ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -55.48 -46.56 76.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 24.8 mt-10 -58.45 -37.2 74.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -111.26 42.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -104.86 121.99 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.792 ' N ' HD22 ' A' ' 29' ' ' LEU . 33.0 t0 -73.69 89.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.96 HG23 ' HG ' ' A' ' 62' ' ' LEU . 3.8 p -62.17 -16.53 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.25 -8.99 58.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.465 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -73.89 -48.22 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 1.007 ' CE2' HD21 ' A' ' 62' ' ' LEU . 70.8 m-85 -46.26 119.96 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ALA . 12.6 mm-40 -92.07 0.4 57.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.22 169.2 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.04 162.9 36.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.23 -0.75 29.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -128.73 23.9 5.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 116' ' ' GLY . 35.7 tp -40.6 -64.89 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.65 HD21 ' CD2' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -89.98 54.93 2.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.34 120.02 18.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.83 32.84 70.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.6 m -129.1 105.02 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.484 ' HA ' HG12 ' A' ' 69' ' ' VAL . 29.9 mtm180 -89.41 108.98 19.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.608 HG21 HG13 ' A' ' 82' ' ' ILE . 1.7 mp -99.71 160.73 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.816 ' CE2' HD22 ' A' ' 74' ' ' LEU . 40.7 t80 -130.43 123.39 29.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.65 ' CD2' HD13 ' A' ' 59' ' ' LEU . 95.4 mt -84.99 133.02 34.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -147.4 110.22 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.272 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . 122.29 -68.83 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.537 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 33.0 m-85 -37.13 134.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.79 84.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.56 -100.05 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' CD ' ' HB3' ' A' ' 27' ' ' GLU . 78.8 mtt180 -97.11 -57.35 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.259 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.656 ' HA ' HD22 ' A' ' 26' ' ' LEU . 1.5 mttt -41.7 -36.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.614 ' CD1' HD13 ' A' ' 48' ' ' LEU . 24.7 tp -71.01 -70.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -38.27 -35.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 70.4 mmtt -63.86 -64.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.65 HD13 ' CD2' ' A' ' 48' ' ' LEU . 18.2 mt -45.79 -39.57 8.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 23.5 mtp180 -52.7 -34.87 54.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -85.8 -36.46 20.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.007 HD21 ' CE2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -68.25 -67.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.763 HG21 ' O ' ' A' ' 69' ' ' VAL . 21.8 mt -43.01 -50.88 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -61.25 -45.47 94.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 t -56.83 -36.32 69.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -84.42 -2.52 89.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.61 -13.52 51.85 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.425 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -57.6 171.06 3.45 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.763 ' O ' HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -100.21 167.75 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.52 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -137.5 87.58 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.436 ' HD1' HG13 ' A' ' 69' ' ' VAL . 4.3 m-85 -82.82 158.23 22.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.06 -7.64 11.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.48 ' C ' ' CE1' ' A' ' 47' ' ' TYR . 34.2 mt-30 -123.07 149.47 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.816 HD22 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.15 114.74 25.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.536 ' ND2' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -138.89 -174.87 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.01 -33.95 44.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.69 -19.13 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.536 HG23 ' ND2' ' A' ' 75' ' ' ASN . 60.2 t -67.9 132.33 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.543 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.5 p -112.99 -9.23 13.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 79' ' ' THR . 35.3 m80 -159.26 143.43 15.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.629 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.636 HG11 HD12 ' A' ' 90' ' ' LEU . 40.7 t -125.39 97.56 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.659 HD13 HG23 ' A' ' 104' ' ' VAL . 2.9 mm -82.3 102.95 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.499 ' CG2' HG13 ' A' ' 103' ' ' VAL . 19.9 t -87.5 150.81 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -116.2 -31.79 1.8 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.25 -56.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -163.81 163.97 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -119.38 83.71 2.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -93.64 -24.85 17.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' GLN . 3.4 tp10 -74.68 -42.52 58.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.664 ' CD2' ' CZ2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -45.34 -42.78 10.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -49.83 -38.01 33.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' GLU . 2.2 mm-40 -65.44 -43.78 89.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 18.5 t80 -65.23 -26.59 68.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.664 ' CZ2' ' CD2' ' A' ' 90' ' ' LEU . 9.7 m0 -77.17 -13.46 59.94 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -101.59 4.25 40.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -115.4 -75.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 64.1 m -102.55 158.02 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.68 99.07 10.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -160.76 144.08 13.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.601 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.83 90.23 31.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 166.57 28.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -87.86 101.91 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.499 HG13 ' CG2' ' A' ' 83' ' ' VAL . 29.0 t -87.47 94.59 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.659 HG23 HD13 ' A' ' 82' ' ' ILE . 27.2 m -123.73 177.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 107' ' ' LYS . . . -104.09 149.07 17.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.789 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -41.36 -31.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.515 ' N ' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -41.66 -47.03 3.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 42.0 t90 -57.78 -63.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.671 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -39.74 -53.91 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.524 HD23 HD22 ' A' ' 62' ' ' LEU . 30.3 mt -48.91 -64.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.0 mm-40 -47.69 -40.04 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.23 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 33.6 m -57.66 -48.67 78.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.671 ' CE2' HD22 ' A' ' 109' ' ' LEU . 31.0 m-85 -72.88 -33.96 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -68.92 -38.45 79.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.745 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.2 mmtt -82.55 -25.66 33.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 96.49 -13.23 65.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.749 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.4 p90 -138.6 152.22 47.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 89.1 mtp -61.74 140.75 58.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.749 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -115.89 177.46 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.46 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 44.9 m -64.17 145.6 55.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.571 ' HB3' HG11 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -95.44 -10.05 30.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.656 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 30.7 mt-10 -65.43 -42.3 56.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.0 3.01 6.0 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.632 ' O ' HG12 ' A' ' 104' ' ' VAL . 98.7 m-85 -142.73 48.02 1.54 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 30.2 mm -90.73 142.92 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.472 ' HB3' HG12 ' A' ' 103' ' ' VAL . 51.1 t60 -105.58 107.64 18.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.594 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t -112.8 -70.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' A' ' 129' ' ' PRO . . . 122.13 -105.27 0.97 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.41 ' HD3' ' HA3' ' A' ' 128' ' ' GLY . 18.1 Cg_endo -75.06 177.94 7.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.9 m -128.67 -57.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.6 160.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m 61.86 155.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.03 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.6 p -110.37 135.94 50.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.05 -73.16 1.13 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.79 87.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 p -170.24 166.99 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.16 136.42 6.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 p -98.89 163.05 12.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 58.11 157.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.4 p -179.07 125.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.0 pt -148.48 139.19 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.31 143.8 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 108.265 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -116.26 155.32 28.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -56.58 119.52 6.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD12 HD11 ' A' ' 19' ' ' LEU . 3.4 tt -72.96 100.88 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.56 102.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.9 m 56.76 104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.34 150.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.473 HD11 HD12 ' A' ' 15' ' ' LEU . 5.7 mt -156.07 154.46 31.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -47.71 147.33 3.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.647 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo -75.01 71.11 5.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 20' ' ' GLU . 3.1 p -102.6 -176.3 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.446 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.844 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -78.93 -48.15 15.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.72 1.26 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.557 HD21 ' HB2' ' A' ' 28' ' ' ASN . 5.2 t-20 -115.04 -7.04 12.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' A' ' 29' ' ' LEU . 2.0 mt -39.63 -40.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.88 -47.59 74.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.557 ' HB2' HD21 ' A' ' 25' ' ' ASN . 11.3 m-20 -94.52 34.46 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 21' ' ' PRO . 15.1 tp -102.92 156.14 17.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.877 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 40.8 t0 -118.6 105.45 11.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.984 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -73.8 -22.93 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.45 20.02 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.049 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.877 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -106.86 -43.18 4.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 93.4 m-85 -50.3 128.65 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.427 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 4.2 tp-100 -84.76 -10.33 57.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HB2' ' HA2' ' A' ' 116' ' ' GLY . . . -41.35 162.9 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.0 159.1 41.75 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 65' ' ' SER . 12.3 mt-10 -74.11 -11.38 60.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.32 23.47 13.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.508 HD22 ' HB1' ' A' ' 36' ' ' ALA . 25.7 tp -43.29 -63.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.727 HD11 HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -100.78 44.96 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -46.56 128.48 10.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.61 42.74 20.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 72.7 m -113.31 112.78 24.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.569 ' HG2' ' CE1' ' A' ' 71' ' ' PHE . 9.2 mtm-85 -93.81 105.45 17.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.563 HG21 ' CG1' ' A' ' 82' ' ' ILE . 4.0 mt -108.98 148.92 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.824 ' CD1' HG13 ' A' ' 81' ' ' VAL . 3.1 t80 -110.9 130.57 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.953 ' CD2' HD13 ' A' ' 59' ' ' LEU . 66.7 mt -90.97 138.19 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' CG ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -148.58 106.12 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 108.289 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 100.9 55.94 0.91 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 44.3 m-85 -156.75 131.16 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.0 p -140.38 -57.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.69 -137.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -64.42 -39.22 93.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -40.51 -44.79 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 51' ' ' PHE . 3.4 tp -68.89 -69.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -39.22 -40.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 11.5 mmtt -59.79 -68.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.953 HD13 ' CD2' ' A' ' 48' ' ' LEU . 52.2 mt -48.44 -39.28 22.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -56.44 -31.88 64.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' CB ' ' A' ' 65' ' ' SER . 94.6 mtt180 -94.27 -34.08 12.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.984 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -67.64 -61.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' A' ' 59' ' ' LEU . 3.5 mt -48.44 -47.76 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -43.26 80.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 13.3 t -50.26 -41.41 50.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -81.79 6.1 67.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.6 -10.05 57.07 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.87 165.69 11.14 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.4 t -118.06 112.33 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.634 ' HD2' HD12 ' A' ' 48' ' ' LEU . 3.7 ttp180 -76.56 122.26 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -103.26 111.09 23.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.946 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -69.11 -18.2 63.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -120.83 162.45 19.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -110.56 159.71 17.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 74' ' ' LEU . 5.2 p30 163.19 -175.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.75 86.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 173.54 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.666 HG11 HG22 ' A' ' 81' ' ' VAL . 77.4 t -56.12 126.15 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.578 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 50.6 p -98.82 -17.65 18.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -162.29 143.96 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.824 HG13 ' CD1' ' A' ' 47' ' ' TYR . 26.2 t -122.01 103.6 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.563 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.4 mm -74.28 99.72 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 90.8 t -93.69 134.94 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.72 -55.85 1.6 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 5.2 m-20 -117.3 -47.74 2.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 14.7 p90 -163.49 179.09 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.415 ' CG ' ' SG ' ' A' ' 49' ' ' CYS . 7.8 t0 -150.82 115.66 5.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.55 -41.23 11.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.3 tt0 -52.63 -55.9 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.681 HD12 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -40.7 -62.8 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' LEU . 32.4 mttm -38.32 -42.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.8 mm-40 -71.26 -47.53 56.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.543 ' CD2' HD22 ' A' ' 74' ' ' LEU . 59.8 t80 -60.11 -20.11 56.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.579 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 6.5 m0 -78.73 -15.76 58.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -116.51 11.81 14.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.01 -75.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.1 m -104.9 157.94 16.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.78 97.14 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -172.4 151.13 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.87 96.17 38.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.74 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 141.15 26.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.586 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 38.9 m80 -62.85 100.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.577 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -88.67 113.78 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 121' ' ' GLU . 27.4 m -143.59 179.42 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -105.76 147.08 16.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.558 1.161 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.844 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.31 -34.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -43.28 -46.86 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.58 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 38.1 t90 -53.88 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.727 HD11 HD11 ' A' ' 41' ' ' LEU . 16.6 tp -40.23 -55.11 2.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.6 mt -45.96 -52.27 11.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.449 ' HB2' HD12 ' A' ' 119' ' ' LEU . 3.4 mm-40 -62.14 -34.13 75.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.56 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 56.1 m -59.4 -57.64 12.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.518 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 49.5 m-85 -68.56 -35.09 76.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 t -59.84 -45.96 90.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.751 ' HG3' HD11 ' A' ' 119' ' ' LEU . 1.6 mmtt -79.34 -25.34 42.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.532 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . 100.78 -15.79 58.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.609 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 14.0 p90 -132.32 159.49 39.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 92.3 mtp -71.03 130.16 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.751 HD11 ' HG3' ' A' ' 115' ' ' LYS . 2.4 mt -102.36 176.08 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 19.7 m -64.42 144.06 57.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.582 ' HB3' HG11 ' A' ' 104' ' ' VAL . 2.3 mp0 -95.46 -20.49 19.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.617 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 18.1 mt-10 -57.09 -45.01 99.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.236 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.01 2.77 6.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.545 ' O ' HG12 ' A' ' 104' ' ' VAL . 75.3 m-85 -138.76 38.92 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.488 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 16.1 mm -81.35 139.57 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.573 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 8.0 t60 -102.97 106.69 17.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.5 m -107.6 167.31 10.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -99.7 -141.15 11.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 126.88 10.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.7 t -133.73 126.38 30.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 62.8 p -123.21 -63.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.468 1.105 . . . . 0.0 111.061 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -175.06 102.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.97 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.96 151.97 16.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.031 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.19 126.42 7.6 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -118.57 116.44 26.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p -166.36 150.7 7.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.51 -141.84 7.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -126.01 153.92 43.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -40.84 146.21 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.24 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -94.55 109.61 21.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 11' ' ' ILE . 40.2 mm -122.88 72.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.65 159.64 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.334 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -68.91 152.26 45.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.37 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.5 p -106.49 170.46 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.71 174.63 10.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -123.11 113.68 19.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.6 130.32 2.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.82 122.67 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.864 HD21 ' HB3' ' A' ' 25' ' ' ASN . 21.1 tp -134.88 136.36 42.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -55.89 140.7 68.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 18.3 Cg_endo -75.01 63.64 6.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.2 p -104.72 172.97 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.979 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -77.58 -58.58 3.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.84 -22.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.864 ' HB3' HD21 ' A' ' 19' ' ' LEU . 18.8 m-20 -125.77 39.88 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.558 HD13 HD21 ' A' ' 110' ' ' LEU . 3.6 tp -85.31 -26.65 26.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.39 -27.09 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.616 ' O ' HD23 ' A' ' 19' ' ' LEU . 4.5 m120 -119.08 22.21 11.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.845 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.79 115.09 16.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.728 ' N ' HD22 ' A' ' 29' ' ' LEU . 62.7 t0 -66.24 82.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.866 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.5 p -53.85 -32.24 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -6.91 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -76.01 -46.1 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.707 ' CE2' HD21 ' A' ' 29' ' ' LEU . 65.7 m-85 -52.34 123.23 10.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -92.79 5.34 51.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.621 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.46 168.32 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.621 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.01 166.01 30.09 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 65' ' ' SER . 2.7 mt-10 -82.08 4.31 23.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -133.97 21.03 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 116' ' ' GLY . 51.8 tp -40.26 -66.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -93.87 48.95 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.95 129.02 40.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.47 41.31 48.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.7 m -123.65 104.34 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -86.63 117.4 25.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.539 HG21 ' CG1' ' A' ' 82' ' ' ILE . 2.3 mt -115.25 157.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.748 ' CD2' HD22 ' A' ' 74' ' ' LEU . 72.6 t80 -115.12 129.0 56.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.892 ' CD2' HD13 ' A' ' 59' ' ' LEU . 95.2 mt -93.03 119.18 32.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.8 t -132.02 120.67 22.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.93 36.46 7.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 20.9 m-85 -138.46 127.75 24.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 p -144.02 -48.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.37 -136.81 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -35.88 81.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 51' ' ' PHE . 2.6 mttt -44.56 -50.44 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.64 ' CD1' HD13 ' A' ' 48' ' ' LEU . 3.5 tp -63.91 -68.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.7 t70 -40.2 -42.14 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' ARG . 67.3 mmtt -59.55 -70.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.892 HD13 ' CD2' ' A' ' 48' ' ' LEU . 21.1 mt -44.91 -47.92 11.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.406 ' HA ' ' CD ' ' A' ' 70' ' ' ARG . 47.0 mtp180 -46.31 -28.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' LYS . 77.9 mtt180 -89.2 -30.4 18.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.893 HD23 ' CD2' ' A' ' 113' ' ' PHE . 1.0 OUTLIER -76.04 -68.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.819 HD11 HD21 ' A' ' 48' ' ' LEU . 5.3 mt -42.93 -36.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -78.06 -45.81 22.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 14.0 t -57.19 -38.56 73.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -79.89 -2.49 88.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.93 -10.74 59.47 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.64 164.7 34.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 t -116.96 117.79 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.682 ' HB3' HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -89.48 127.0 35.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE2' ' HB2' ' A' ' 77' ' ' ASP . 1.9 m-85 -97.73 125.38 42.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -75.18 -20.91 59.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -125.45 141.68 51.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -71.4 128.32 35.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -153.23 179.45 8.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' CD ' ' HG ' ' A' ' 97' ' ' SER . 23.4 mt-10 -81.01 7.55 10.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 14.4 m-20 -89.36 -45.6 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -62.45 140.04 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 77.3 p -106.34 -18.21 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.511 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.3 m80 -140.56 146.43 38.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 47' ' ' TYR . 25.1 t -120.35 116.62 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.539 ' CG1' HG21 ' A' ' 46' ' ' ILE . 2.5 mm -95.69 105.39 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.537 ' CG2' HG13 ' A' ' 103' ' ' VAL . 23.3 t -83.76 133.41 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.75 -24.82 6.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.558 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 7.9 t0 -144.01 -48.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 12.0 p90 -164.16 140.29 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 4.7 p-10 -93.36 80.31 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 91' ' ' LYS . 6.1 m-20 -93.27 -53.29 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -38.35 -46.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.684 HD22 ' CZ2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -47.11 -50.74 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' ASP . 80.6 mttt -41.4 -37.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -44.6 60.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LEU . 42.6 t80 -67.36 -17.4 64.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.684 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 5.2 m0 -83.2 -21.85 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.53 5.73 50.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -113.47 -87.74 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.418 ' HG ' ' CD ' ' A' ' 76' ' ' GLU . 58.0 m -95.36 158.65 15.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.29 98.36 10.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -162.08 139.21 8.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 95.09 47.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.435 ' HD2' HD21 ' A' ' 90' ' ' LEU . 18.2 Cg_endo -74.98 167.1 27.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -82.76 102.18 11.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.554 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.537 HG13 ' CG2' ' A' ' 83' ' ' VAL . 35.8 t -87.02 107.92 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.695 HG11 ' HB3' ' A' ' 121' ' ' GLU . 35.4 m -137.87 178.65 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.67 145.37 16.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.979 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.22 -33.48 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.765 ' H ' HD23 ' A' ' 23' ' ' LEU . 10.5 tttt -43.37 -46.47 6.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.53 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 30.2 t90 -53.65 -64.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.029 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 41' ' ' LEU . 17.4 tp -45.54 -55.15 6.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.558 HD21 HD13 ' A' ' 26' ' ' LEU . 89.3 mt -42.64 -60.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.3 mm-40 -53.18 -44.49 67.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 63.6 m -51.61 -54.94 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.893 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -67.86 -6.03 19.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.517 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.86 -41.95 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -87.04 -25.8 24.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.632 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 98.11 -9.06 63.26 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.733 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.2 p90 -132.82 142.49 49.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 73.8 mtp -57.85 142.73 44.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.733 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.3 OUTLIER -114.88 176.36 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.45 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 71.1 m -63.62 142.58 58.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.695 ' HB3' HG11 ' A' ' 104' ' ' VAL . 3.0 mt-10 -96.08 -11.92 25.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.5 mt-10 -65.94 -43.73 59.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -75.03 3.01 6.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.53 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 74.4 m-85 -135.27 35.55 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 15.9 mm -81.04 143.05 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -112.23 107.68 16.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.8 t -90.19 166.66 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -113.32 -172.03 18.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.2 m 49.91 98.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.1 t -73.28 125.67 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -150.18 -63.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p -77.82 158.62 29.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.051 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.03 64.45 0.27 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.37 108.52 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -51.26 165.83 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.73 104.49 0.48 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.99 137.47 51.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.72 105.92 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.16 95.05 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.504 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.2 tp -171.96 109.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.3 p -84.8 127.86 34.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -117.63 138.28 52.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.97 136.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 42.95 86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -136.33 115.51 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.03 158.27 19.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.53 143.63 37.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mt -148.11 155.81 41.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.67 148.95 0.28 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo -74.97 81.56 2.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.4 p -127.14 158.88 35.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.141 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -51.25 -63.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.3 -51.45 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -93.38 60.96 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.508 HD12 HD23 ' A' ' 29' ' ' LEU . 16.3 tp -97.21 -31.8 12.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 64.1 mt-10 -75.37 -42.79 53.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -78.37 -14.28 59.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.735 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.9 tp -57.84 160.33 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.578 ' H ' HD12 ' A' ' 29' ' ' LEU . 34.8 t0 -120.29 89.98 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.962 HG23 ' HG ' ' A' ' 62' ' ' LEU . 5.4 p -53.65 -22.7 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.421 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -90.34 20.51 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.06 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -106.93 -43.33 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.735 ' CE2' HD11 ' A' ' 29' ' ' LEU . 93.4 m-85 -49.64 128.36 17.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -87.88 -5.92 58.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.548 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -43.62 165.38 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.538 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.98 153.33 41.79 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -69.24 -7.43 36.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -117.75 19.49 13.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.676 HD23 ' CD1' ' A' ' 113' ' ' PHE . 30.0 tp -39.91 -64.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -98.68 48.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.77 129.02 35.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.9 40.64 27.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.2 m -119.49 105.5 11.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.7 mtm-85 -86.67 117.95 25.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.6 mt -118.35 150.99 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.999 ' CD2' HD12 ' A' ' 74' ' ' LEU . 79.0 t80 -112.48 132.9 54.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.083 HD22 HD13 ' A' ' 59' ' ' LEU . 97.5 mt -96.64 114.76 26.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 3.0 t -121.42 116.69 25.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.409 ' CA ' ' OD2' ' A' ' 85' ' ' ASP . . . 91.62 45.05 4.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -140.58 142.07 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -150.56 -72.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.24 -161.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -39.03 -37.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HG2' ' CG ' ' A' ' 27' ' ' GLU . 3.7 mttt -44.56 -50.08 9.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ASP . 4.3 tp -63.03 -70.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.7 t70 -38.69 -52.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 29.5 mmtt -42.81 -61.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.083 HD13 HD22 ' A' ' 48' ' ' LEU . 38.9 mt -56.82 -50.02 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -45.83 -25.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -93.58 -34.81 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.99 HD23 ' CD2' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -70.35 -65.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.818 HD11 HD21 ' A' ' 48' ' ' LEU . 3.6 mt -44.2 -35.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -78.79 -45.05 21.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -48.45 69.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -71.99 -10.4 72.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.67 -20.62 48.68 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -50.52 160.15 1.46 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 t -112.92 109.96 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 6.0 ttp180 -78.0 119.49 21.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.695 ' CE2' ' CB ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER -96.74 116.51 29.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.58 -27.21 67.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -127.33 136.23 51.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.999 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -74.57 144.1 44.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.691 HD22 ' HE2' ' A' ' 71' ' ' PHE . 9.7 p30 176.0 -174.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -65.53 72.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.695 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 1.6 m-20 -165.83 -48.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -65.31 104.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 45' ' ' ARG . 71.3 p -74.58 -14.42 60.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.822 ' O ' HG23 ' A' ' 78' ' ' VAL . 6.8 m80 -145.5 140.55 27.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.575 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.955 HG11 ' CD2' ' A' ' 90' ' ' LEU . 79.6 t -112.49 127.27 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.597 HD13 HG23 ' A' ' 104' ' ' VAL . 4.7 mm -107.88 103.01 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 87' ' ' ASP . 68.9 t -93.41 119.54 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.91 -34.28 6.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' OD2' ' CA ' ' A' ' 50' ' ' GLY . 5.7 m-20 -125.65 -56.36 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.694 ' O ' HG13 ' A' ' 83' ' ' VAL . 17.1 m-85 -146.92 170.97 15.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.807 ' HB3' HG21 ' A' ' 83' ' ' VAL . 4.6 p30 -120.35 49.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.56 -64.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -41.39 -51.36 3.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.955 ' CD2' HG11 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -38.97 -47.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -55.79 -53.37 57.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -54.77 -49.88 69.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 75' ' ' ASN . 35.2 t80 -56.11 -36.94 68.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.436 ' CD2' HD12 ' A' ' 90' ' ' LEU . 6.5 m0 -70.29 -12.97 61.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -106.38 7.56 31.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -116.75 -73.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -107.09 158.21 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.1 98.44 10.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -159.14 151.11 20.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.61 89.41 52.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.595 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.03 -172.82 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -104.72 104.06 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 90' ' ' LEU . 46.0 t -84.93 99.56 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.597 HG23 HD13 ' A' ' 82' ' ' ILE . 34.1 m -132.25 178.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.68 148.1 17.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 1.141 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.1 -36.88 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.709 ' H ' HD23 ' A' ' 23' ' ' LEU . 13.5 tttt -40.22 -48.49 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 44.8 t90 -55.2 -62.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.01 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.604 HD11 HG13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -39.67 -52.28 2.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.05 -62.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.454 ' HB2' HD12 ' A' ' 119' ' ' LEU . 2.1 mm-40 -47.53 -40.62 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 32.9 m -52.52 -49.57 64.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.99 ' CD2' HD23 ' A' ' 62' ' ' LEU . 56.9 m-85 -72.71 -47.93 43.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -55.28 -38.63 68.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.041 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.78 ' HG3' HD11 ' A' ' 119' ' ' LEU . 5.2 mmtt -80.31 -24.98 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.52 -10.85 73.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.578 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 9.2 p90 -140.88 160.46 40.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 0.765 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 82.5 mtp -68.56 132.49 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.78 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.6 mt -106.83 177.44 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.44 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 66.2 m -67.87 145.34 54.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.587 ' CB ' HG11 ' A' ' 104' ' ' VAL . 2.0 mp0 -95.89 -24.14 16.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.614 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.7 mt-10 -54.41 -44.84 99.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.98 2.31 6.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 69.1 m-85 -136.35 37.52 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 22.3 mm -82.32 151.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -111.87 106.67 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.591 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.3 p -114.25 177.78 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -145.57 168.36 27.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 96.8 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -97.61 -68.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.4 -57.61 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -163.24 169.33 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.66 168.48 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.87 177.19 45.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -158.14 151.66 23.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -159.43 165.79 32.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.15 -155.73 20.14 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.68 161.49 11.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.75 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.87 171.44 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.01 148.1 23.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mt -135.23 100.97 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.9 p -172.21 147.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 108.323 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.09 93.45 8.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.3 p -175.87 161.18 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.979 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.39 96.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.1 t30 171.22 -53.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.85 -33.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.9 128.18 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 mp -99.95 -169.61 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.514 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -67.9 153.17 95.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.683 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo -74.98 69.02 5.65 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.458 1.768 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.514 HG23 ' HB3' ' A' ' 20' ' ' GLU . 77.9 p -120.74 151.91 38.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.042 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -48.17 -53.09 18.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.8 -19.56 4.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 3.0 m-20 -125.22 52.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.138 HD23 HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -81.08 -33.99 32.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' CB ' ' HD2' ' A' ' 54' ' ' ARG . 16.3 mt-10 -75.52 -32.74 60.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -107.14 32.6 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.138 HD23 HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -105.79 149.24 26.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.667 ' N ' HD12 ' A' ' 29' ' ' LEU . 15.8 t0 -111.29 89.47 3.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.916 HG23 ' HG ' ' A' ' 62' ' ' LEU . 1.9 p -53.1 -33.55 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -6.62 30.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -76.33 -47.17 24.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.726 ' CE2' HD21 ' A' ' 62' ' ' LEU . 66.6 m-85 -46.79 123.96 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -86.14 0.47 53.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.658 ' HB2' ' HA ' ' A' ' 113' ' ' PHE . . . -42.26 162.91 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.02 164.71 32.78 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.94 7.58 15.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.45 22.6 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 116' ' ' GLY . 52.4 tp -44.06 -62.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.443 HD11 HD21 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -101.72 44.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.8 129.68 14.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.79 42.81 29.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.58 1.175 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 41' ' ' LEU . 61.9 m -116.13 107.28 14.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 4.3 mtt-85 -88.32 108.78 19.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.455 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.2 mt -112.47 157.84 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.939 ' HB3' HG22 ' A' ' 81' ' ' VAL . 4.8 t80 -119.62 123.83 44.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.904 HD22 HD23 ' A' ' 59' ' ' LEU . 96.1 mt -92.58 133.67 35.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.8 131.75 9.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.41 -5.29 38.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.75 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 20.5 m-85 -108.58 -176.71 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 51' ' ' PHE . 2.8 p 155.45 115.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.36 -93.4 0.83 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HD2' ' CB ' ' A' ' 27' ' ' GLU . 4.2 mtm180 -98.12 -66.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.22 -40.96 3.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.959 HD13 ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -69.15 -70.99 0.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.959 ' N ' HD13 ' A' ' 56' ' ' LEU . 1.2 m-20 -38.9 -47.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' CB ' HD22 ' A' ' 26' ' ' LEU . 9.5 mmtt -40.85 -63.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.904 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.67 -55.21 20.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' CG ' ' HD3' ' A' ' 70' ' ' ARG . 7.3 mtp180 -39.32 -39.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -77.45 -42.72 34.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.916 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -59.19 -65.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' LEU . 9.3 mt -38.93 -56.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -58.6 -42.95 89.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' LEU . 8.2 t -60.19 -15.39 23.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.09 1.88 28.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.18 -14.09 51.51 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.84 158.15 5.19 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.44 116.26 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HD2' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.47 108.21 13.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -84.73 120.16 26.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -74.39 -9.62 58.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 2.5 mt-30 -134.91 174.3 10.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.608 HD22 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -116.46 162.95 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 5.5 p30 155.78 -175.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.86 91.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 169.06 -33.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG11 ' CG2' ' A' ' 81' ' ' VAL . 55.3 t -57.35 114.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.539 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 43.8 p -83.7 -20.36 33.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.42 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 79' ' ' THR . 8.0 m80 -159.91 163.46 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.582 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.939 HG22 ' HB3' ' A' ' 47' ' ' TYR . 39.8 t -139.51 100.7 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.758 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.4 mm -76.19 103.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.746 ' CG2' HG13 ' A' ' 103' ' ' VAL . 76.6 t -95.85 135.59 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.532 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -102.76 -13.51 29.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -160.47 -44.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 6.3 p90 -172.48 174.75 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.643 ' CG ' HD23 ' A' ' 90' ' ' LEU . 8.4 t0 -152.02 99.72 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.1 m-20 -72.27 -49.06 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.3 tm-20 -37.66 -50.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.705 HD12 ' CE2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -37.76 -60.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -42.81 -54.09 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -57.53 -49.34 76.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.608 ' CD2' HD22 ' A' ' 74' ' ' LEU . 22.2 t80 -60.55 -24.78 65.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.705 ' CE2' HD12 ' A' ' 90' ' ' LEU . 11.7 m0 -87.93 -10.64 49.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -105.67 12.37 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -137.46 -60.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.572 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 69.3 m -99.42 157.59 16.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -108.41 99.9 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -168.34 153.96 6.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.581 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -125.46 91.18 49.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.646 ' HG2' HD11 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -74.92 159.74 41.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -82.14 102.21 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.746 HG13 ' CG2' ' A' ' 83' ' ' VAL . 79.1 t -90.25 95.25 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.673 HG21 ' OE1' ' A' ' 121' ' ' GLU . 27.3 m -121.4 178.35 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.19 148.86 17.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 1.042 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -42.74 -36.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.74 ' N ' HD23 ' A' ' 23' ' ' LEU . 7.7 tttt -39.01 -47.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.515 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 45.0 t90 -58.81 -61.84 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.023 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -41.79 -54.51 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.446 HD23 HD22 ' A' ' 62' ' ' LEU . 42.7 mt -48.69 -65.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.488 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.2 mm-40 -43.49 -48.5 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.504 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 71.1 m -50.9 -58.14 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 108.284 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.824 ' CD2' HD23 ' A' ' 62' ' ' LEU . 34.7 m-85 -65.93 -7.48 16.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -89.29 -41.17 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -89.44 -25.88 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.709 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 97.88 -11.95 64.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.802 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 6.0 p90 -128.77 144.72 51.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.2 mtp -60.27 140.34 57.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.802 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -113.31 172.15 7.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.476 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 18.5 m -56.99 141.55 45.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.673 ' OE1' HG21 ' A' ' 104' ' ' VAL . 5.2 mm-40 -95.81 -10.58 28.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 30.3 mt-10 -67.85 -42.89 35.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.1 Cg_endo -75.07 3.63 5.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.536 1.809 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.515 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 96.2 m-85 -139.21 40.95 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 29.2 mm -86.33 148.92 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.416 ' HB3' HG12 ' A' ' 103' ' ' VAL . 2.7 t-160 -110.54 106.73 16.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.573 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 p -105.99 165.14 11.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -109.98 -157.45 16.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.1 94.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.14 101.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -96.53 100.86 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.73 155.95 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.53 -170.15 40.22 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.83 -59.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 0.787 . . . . 0.0 109.983 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m 63.74 137.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.948 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.78 79.81 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 m -146.34 165.53 29.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -172.84 157.42 3.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.37 157.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.6 tt -132.93 172.24 16.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.9 163.38 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 108.343 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -81.73 173.11 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.72 143.94 50.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.706 ' O ' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER 173.09 155.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 63.45 168.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -110.43 130.2 55.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt 59.28 99.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.706 HD11 ' O ' ' A' ' 15' ' ' LEU . 4.9 mp -98.13 -168.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' OE1' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -62.87 152.44 82.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.668 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.1 Cg_endo -75.04 59.28 5.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.439 HG23 ' OE1' ' A' ' 20' ' ' GLU . 5.1 p -111.06 153.42 25.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.677 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -50.3 -52.77 33.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.93 -17.93 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -124.57 52.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.879 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -82.66 -42.23 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.88 -37.86 82.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -95.95 43.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 21' ' ' PRO . 16.0 tp -105.95 160.86 14.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.58 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 40.1 t0 -126.92 80.71 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.855 HG23 ' HG ' ' A' ' 62' ' ' LEU . 11.2 p -54.73 -22.57 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.03 2.31 24.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -92.34 -42.9 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 39.9 m-85 -49.83 128.41 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 13.9 tt0 -96.09 -2.6 46.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -43.79 167.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.03 164.74 32.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.94 3.63 33.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.07 18.58 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 116' ' ' GLY . 61.7 tp -41.03 -61.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.25 42.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -51.59 131.55 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 46.29 42.92 13.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.2 m -120.37 106.87 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 3.1 mtt-85 -88.88 110.08 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.676 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.6 mt -114.28 147.82 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.669 ' CE2' HD12 ' A' ' 74' ' ' LEU . 5.0 t80 -106.52 117.27 33.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.735 HD22 HD23 ' A' ' 59' ' ' LEU . 42.2 mt -83.42 115.57 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.779 ' SG ' HG22 ' A' ' 83' ' ' VAL . 1.8 p -120.8 165.23 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 38.18 54.69 2.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.576 ' CE2' HD23 ' A' ' 59' ' ' LEU . 9.2 m-85 -144.66 129.67 18.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -157.77 148.09 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.87 -132.83 11.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -67.41 -48.71 66.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.879 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -41.68 -54.07 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.514 ' CD1' HD13 ' A' ' 48' ' ' LEU . 21.0 tp -67.28 -56.73 8.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -39.69 -38.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ARG . 16.2 mmtt -66.07 -72.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.735 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -39.04 -38.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 16.4 mtp-105 -59.09 -51.74 68.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 65' ' ' SER . 59.3 mtt180 -68.08 -28.09 67.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.855 ' HG ' HG23 ' A' ' 31' ' ' VAL . 2.5 mp -71.74 -71.28 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.615 HD12 HD11 ' A' ' 48' ' ' LEU . 21.3 mt -37.79 -55.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -45.1 92.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 11.7 t -60.51 -29.53 69.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -91.35 -7.58 65.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.563 1.164 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.73 63.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.36 160.48 3.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.9 t -110.41 113.58 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.419 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -78.16 102.47 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -75.71 125.12 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -77.21 -14.48 59.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.4 170.98 13.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.763 HD22 ' CG ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -109.73 164.18 12.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.454 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.4 OUTLIER 165.81 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -67.84 -16.47 64.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -45.47 67.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' A' ' 74' ' ' LEU . 79.1 t -43.83 142.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.533 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.9 p -113.84 -17.56 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.676 ' HB2' HG23 ' A' ' 46' ' ' ILE . 11.0 m80 -159.44 157.44 30.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.956 HG11 HD12 ' A' ' 90' ' ' LEU . 76.6 t -135.68 96.97 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 mm -74.99 110.0 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.779 HG22 ' SG ' ' A' ' 49' ' ' CYS . 46.5 t -99.5 139.83 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -115.67 -21.25 5.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.522 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 20.0 m-20 -125.54 -53.55 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 13.4 p90 179.83 -45.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 86' ' ' TYR . 17.6 t0 81.91 108.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -94.29 -34.19 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.5 tp10 -57.91 -45.85 85.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.956 HD12 HG11 ' A' ' 81' ' ' VAL . 1.2 tt -40.5 -50.59 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -48.13 -46.63 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.4 mm-40 -57.96 -50.34 73.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.763 ' CG ' HD22 ' A' ' 74' ' ' LEU . 9.0 t80 -55.07 -37.81 67.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -63.59 -22.47 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.57 11.83 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -115.2 -86.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.7 m -91.34 157.71 16.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.05 98.96 10.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -163.08 157.35 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.19 90.66 49.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.61 40.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -81.34 102.31 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.45 HG22 HD11 ' A' ' 90' ' ' LEU . 46.3 t -91.78 99.11 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 121' ' ' GLU . 27.1 m -129.68 175.26 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.91 149.07 19.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.677 ' HB3' HD22 ' A' ' 23' ' ' LEU . . . -42.13 -36.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' ALA . 4.4 tttt -37.41 -50.42 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.62 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 53.3 t90 -56.54 -64.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -40.01 -48.94 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 21' ' ' PRO . 66.9 mt -52.68 -62.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.9 mm-40 -48.67 -48.39 39.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.718 ' HA ' HD11 ' A' ' 119' ' ' LEU . 80.2 m -40.67 -57.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 108.263 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.779 ' CD2' HD23 ' A' ' 62' ' ' LEU . 53.8 m-85 -65.53 -58.76 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.56 -41.43 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.603 ' HG3' HD21 ' A' ' 119' ' ' LEU . 4.7 mmmt -79.04 -24.53 43.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.519 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 90.13 -16.02 58.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.578 ' CE1' ' HG ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -132.81 162.94 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.789 . . . . 0.0 110.949 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 75.9 mtp -76.78 145.58 38.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.939 ' N ' HD12 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -116.51 -179.79 3.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.501 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.9 m -68.3 144.62 54.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.47 ' HB3' HG11 ' A' ' 104' ' ' VAL . 2.2 mt-10 -94.7 -9.05 36.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.622 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 13.3 mt-10 -72.82 -44.45 8.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.93 0.29 9.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.551 1.816 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.486 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 61.1 m-85 -133.42 34.44 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 121' ' ' GLU . 13.9 mm -75.98 153.29 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -111.51 106.26 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.29 153.76 38.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 129' ' ' PRO . . . -94.27 141.32 15.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.402 ' HD3' ' HA2' ' A' ' 128' ' ' GLY . 18.3 Cg_endo -75.01 156.56 42.95 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.4 p 173.71 126.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.01 115.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 174.99 125.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -139.02 175.62 9.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.35 178.37 26.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 p -169.76 166.72 9.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.47 169.84 23.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.27 -150.14 5.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.436 1.085 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.91 159.53 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.25 153.56 51.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.62 119.05 37.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.028 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 pt -128.19 140.27 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.7 m 63.02 153.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -129.08 96.77 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.0 p -144.03 128.79 18.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.43 114.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 t30 175.79 -53.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.19 179.69 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.54 126.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.11 -166.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.54 151.87 91.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.798 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -75.05 63.75 6.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.2 p -114.63 163.15 15.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.921 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -60.07 -59.86 4.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -47.23 -22.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 23' ' ' LEU . 4.7 m-20 -119.67 59.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.668 HD23 HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -92.22 -37.22 12.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -68.78 -36.68 78.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.48 -44.02 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.898 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -44.96 145.03 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 27.7 t0 -110.31 127.92 55.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.946 HG23 ' HG ' ' A' ' 62' ' ' LEU . 4.3 p -80.62 -32.32 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.12 4.77 18.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.57 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -87.97 -45.91 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.898 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 84.9 m-85 -47.23 135.79 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.172 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -97.32 6.14 48.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -55.17 169.64 0.43 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.02 154.34 42.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -8.4 53.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -118.81 20.49 12.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 113' ' ' PHE . 48.5 tp -39.04 -65.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 63' ' ' ILE . 1.7 mt -92.53 54.39 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.25 124.16 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.31 37.9 75.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.09 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.8 m -124.75 104.63 8.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.7 mtm-85 -84.46 123.0 29.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 80' ' ' HIS . 1.8 mt -122.0 144.93 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.758 ' HD2' HG13 ' A' ' 81' ' ' VAL . 56.9 t80 -109.59 118.96 37.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.958 HD22 HD23 ' A' ' 59' ' ' LEU . 57.0 mt -84.17 132.5 34.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.96 153.95 48.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.58 55.11 9.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.525 ' CE1' ' HA3' ' A' ' 84' ' ' GLY . 13.1 m-85 -142.96 131.84 22.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.86 165.18 36.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.88 -122.66 13.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -81.19 -47.07 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.537 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -40.79 -50.54 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 51' ' ' PHE . 5.9 tp -66.77 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -39.43 -47.72 1.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 50.2 mmtt -53.49 -66.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.958 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -44.42 -57.86 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' LEU . 4.4 mtt180 -38.99 -52.31 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -65.73 -42.11 91.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.946 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -57.36 -70.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.505 HD12 HD11 ' A' ' 48' ' ' LEU . 11.4 mt -38.11 -55.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -57.65 -45.71 85.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' LEU . 39.8 t -57.18 -29.34 63.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.56 -15.12 60.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.91 -15.25 62.91 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.53 164.58 8.54 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.3 t -110.25 116.85 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 70' ' ' ARG . 4.7 ttp-105 -84.14 109.61 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.634 ' CZ ' ' HB2' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -86.11 108.94 18.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.73 -20.45 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -123.94 151.97 43.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.53 HD22 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.9 125.35 31.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.577 ' C ' ' CE1' ' A' ' 93' ' ' PHE . 6.0 m120 -148.8 -174.07 4.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' CG ' ' CB ' ' A' ' 97' ' ' SER . 13.3 mt-10 -85.15 12.34 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.634 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -94.36 -50.08 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.697 HG21 ' CB ' ' A' ' 47' ' ' TYR . 1.1 p -55.68 136.12 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.472 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 82.6 p -105.4 -15.58 14.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.6 m80 -141.25 147.15 37.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.639 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.993 HG11 HD12 ' A' ' 90' ' ' LEU . 74.1 t -127.49 105.91 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.444 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.1 mm -82.72 112.78 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.592 ' CG2' HG13 ' A' ' 103' ' ' VAL . 39.0 t -96.75 126.07 49.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.525 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -97.68 -36.19 4.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -133.04 -48.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -164.91 149.52 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.417 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 20.0 p-10 -106.6 91.92 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' LYS . 18.0 m-20 -92.02 -56.72 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.509 ' CB ' ' OH ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -38.81 -54.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.993 HD12 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -38.46 -43.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.517 ' CG ' ' N ' ' A' ' 92' ' ' GLN . 3.2 pttt -51.7 -53.05 43.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.517 ' N ' ' CG ' ' A' ' 91' ' ' LYS . 8.5 mt-30 -57.68 -41.72 82.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.577 ' CE1' ' C ' ' A' ' 75' ' ' ASN . 57.8 t80 -68.34 -27.24 66.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.555 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 3.4 m0 -72.0 -24.46 61.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 107.958 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.34 1.96 54.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -107.08 -80.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.44 ' CB ' ' CG ' ' A' ' 76' ' ' GLU . 58.8 m -102.18 158.12 16.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.61 98.37 10.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -159.46 145.4 16.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.578 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.34 89.81 47.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.495 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.06 161.26 38.89 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -75.47 108.53 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.592 HG13 ' CG2' ' A' ' 83' ' ' VAL . 92.1 t -93.68 96.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.583 HG11 ' CB ' ' A' ' 121' ' ' GLU . 16.3 m -128.78 178.58 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 107' ' ' LYS . . . -103.18 153.88 18.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.446 1.091 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.921 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -47.41 -22.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 14.9 tttt -60.54 -14.28 18.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.588 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 8.2 t90 -99.84 -3.74 31.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 107.998 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.686 HD11 ' HE2' ' A' ' 113' ' ' PHE . 9.4 tp -92.17 -47.49 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.805 HD22 ' O ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -58.85 -56.24 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.5 mm-40 -47.68 -38.86 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 118' ' ' MET . 67.0 m -62.16 -55.71 26.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 108.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.686 ' HE2' HD11 ' A' ' 109' ' ' LEU . 29.4 m-85 -70.12 -6.92 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.9 t -97.33 -45.77 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 1.2 mmtt -74.08 -23.07 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.99 -13.07 63.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.412 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 2.8 p90 -141.62 165.98 25.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.413 ' HA ' ' SG ' ' A' ' 112' ' ' CYS . 12.2 mtp -69.01 147.6 51.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.504 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.7 mt -117.91 177.6 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.485 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.8 m -66.93 143.41 56.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.583 ' CB ' HG11 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -95.75 -9.19 32.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.621 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 45.3 mt-10 -71.97 -43.01 10.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.04 3.19 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.588 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 74.7 m-85 -138.82 39.44 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 21.5 mm -83.16 148.59 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -114.56 106.82 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.2 p -109.1 171.75 7.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -147.17 -157.82 7.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 97.42 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.448 1.762 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.63 123.39 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.59 139.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -95.77 121.73 37.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 0.742 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.94 144.03 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.59 108.96 1.67 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 p -178.24 98.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 0.724 . . . . 0.0 110.042 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.48 -59.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.66 -133.22 6.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -147.13 157.79 43.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -167.2 135.95 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -58.43 147.24 32.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 tp -58.86 126.23 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.55 125.66 34.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.341 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -80.11 141.61 35.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.7 t -125.78 119.49 28.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.71 119.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -83.21 94.56 7.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 176.23 154.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -40.99 143.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mt -155.09 158.61 39.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.574 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -44.92 152.72 0.54 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.549 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -75.06 69.69 5.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 20' ' ' GLU . 81.3 p -115.78 151.21 35.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.985 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -45.84 -65.73 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 11.4 mt-10 -37.61 -66.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -80.9 62.25 4.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 13.4 tp -97.83 -26.27 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -75.34 -50.73 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -68.67 -22.88 64.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.803 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.9 tp -55.22 138.41 45.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 14.2 t0 -106.27 101.4 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.904 HG23 ' HG ' ' A' ' 62' ' ' LEU . 10.7 p -56.62 -24.1 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.37 4.68 14.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -92.96 -42.93 9.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.803 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 53.5 m-85 -49.25 130.86 19.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 8.2 tt0 -94.9 -5.13 45.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 113' ' ' PHE . . . -43.46 166.5 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.1 162.5 36.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.67 4.62 21.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -131.35 16.91 4.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' ASP . 54.9 tp -39.54 -70.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -85.73 48.76 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.45 127.15 29.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.17 39.93 58.82 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.4 m -123.45 104.32 9.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -87.32 121.51 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.641 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.4 mp -120.49 157.52 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.791 ' HD2' HG13 ' A' ' 81' ' ' VAL . 89.0 t80 -115.92 116.1 27.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.945 HD22 HD23 ' A' ' 59' ' ' LEU . 62.6 mt -83.27 119.03 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.9 t -133.54 130.08 37.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.25 52.86 5.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 35.2 m-85 -145.97 136.56 24.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -165.45 147.83 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.998 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.08 -117.23 4.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.25 -52.51 6.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -41.47 -55.15 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD22 ' O ' ' A' ' 51' ' ' PHE . 8.5 tp -59.24 -61.97 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -40.31 -43.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' ARG . 69.0 mmtt -58.37 -73.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.945 HD23 HD22 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -39.86 -42.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 23.3 mtt-85 -55.55 -50.45 69.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' LYS . 78.1 mtt180 -69.81 -40.58 75.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.904 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.8 mp -56.84 -66.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.86 HD13 ' HB3' ' A' ' 70' ' ' ARG . 16.8 mt -40.1 -55.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.31 -40.89 75.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.6 t -65.99 -16.66 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -104.45 -10.36 33.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.21 -0.94 87.57 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.65 166.38 53.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 t -121.07 120.18 61.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.86 ' HB3' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -88.9 128.34 35.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 77' ' ' ASP . 1.4 m-85 -99.62 117.03 33.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -69.53 -19.77 63.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -123.44 143.69 49.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.727 HD22 ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.89 127.62 33.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.547 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -156.18 -174.22 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -83.0 9.27 10.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 1.1 m-20 -89.89 -48.21 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.708 HG21 ' HB2' ' A' ' 47' ' ' TYR . 1.8 p -63.74 148.06 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.411 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 80.6 p -110.08 -26.94 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.641 ' HB2' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -127.51 156.48 42.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.569 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.063 HG11 HD12 ' A' ' 90' ' ' LEU . 67.2 t -136.96 97.54 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.503 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.6 mm -77.41 102.38 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.828 HG22 ' HB3' ' A' ' 87' ' ' ASP . 92.6 t -88.09 106.9 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -98.72 -12.42 43.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 86' ' ' TYR . 1.1 m-20 -173.63 78.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 85' ' ' ASP . 43.8 m-85 59.28 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.828 ' HB3' HG22 ' A' ' 83' ' ' VAL . 13.0 p-10 -116.0 42.65 2.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ASP . 4.6 m-20 -39.78 -30.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' GLN . 0.1 OUTLIER -60.19 -55.2 36.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.063 HD12 HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -39.97 -53.74 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.02 -41.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.6 mm100 -64.08 -47.68 79.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.476 ' CD2' HD12 ' A' ' 74' ' ' LEU . 17.7 t80 -61.53 -19.64 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.681 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 12.2 m0 -81.56 -22.81 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 107.995 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -101.52 5.9 42.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -108.62 -76.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.6 m -109.26 158.07 18.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.52 97.34 11.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -168.71 141.64 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.589 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.69 98.28 49.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.451 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.02 162.26 37.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -74.9 108.43 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.638 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 83' ' ' VAL . 26.8 t -94.78 110.07 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 33.6 m -139.31 178.17 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.42 149.65 17.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.985 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.41 -35.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.671 ' H ' HD23 ' A' ' 23' ' ' LEU . 3.1 tttt -39.19 -50.23 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.616 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 41.8 t90 -58.27 -61.81 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -40.3 -44.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.36 -63.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.43 -48.25 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.709 ' HA ' HD11 ' A' ' 119' ' ' LEU . 96.6 m -41.39 -57.85 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.787 ' CD2' HD23 ' A' ' 62' ' ' LEU . 61.8 m-85 -64.91 -59.28 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 t -46.77 -48.72 20.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.513 ' HE2' ' CD2' ' A' ' 119' ' ' LEU . 1.3 mmmt -72.06 -26.66 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.83 -2.25 87.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.63 ' CE1' ' HG ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -142.79 155.87 44.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 111.004 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.9 mtp -71.66 141.37 49.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.92 ' N ' HD12 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -114.24 179.75 3.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.499 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 59.5 m -68.93 145.03 54.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.522 ' OE2' ' CD2' ' A' ' 80' ' ' HIS . 34.6 mt-10 -95.02 -9.4 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.62 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 29.2 mt-10 -73.4 -44.55 7.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.94 1.15 8.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 57.1 m-85 -134.11 36.22 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 20.5 mm -80.02 146.48 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -107.14 110.46 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.554 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.3 m -113.34 167.11 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -135.54 140.61 11.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.9 28.25 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.64 156.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 73.1 p -98.15 106.17 18.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -159.88 158.19 30.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 0.766 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -177.79 74.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.7 121.43 4.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -178.25 159.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.5 p -176.04 160.81 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.15 149.13 4.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.3 t -178.5 136.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.4 136.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.9 p 179.34 91.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tt -173.99 128.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 p -165.52 149.13 8.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 108.278 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -175.96 92.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m 175.12 136.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.37 -61.14 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 61.71 165.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -120.57 138.35 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -52.85 -179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.99 -165.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' OE1' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -78.24 151.6 78.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.576 ' O ' HD13 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.0 55.3 3.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.451 HG23 ' OE1' ' A' ' 20' ' ' GLU . 19.3 p -108.8 165.27 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.994 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -59.33 -60.55 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -44.28 -26.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 23' ' ' LEU . 26.6 m-20 -121.28 59.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.812 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -85.91 -43.14 13.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -71.08 -13.13 61.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -110.98 -7.79 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.856 HD22 ' N ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -69.03 131.5 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.856 ' N ' HD22 ' A' ' 29' ' ' LEU . 32.2 t0 -97.31 89.26 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.778 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.6 p -52.74 -34.57 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -8.7 31.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -77.16 -45.48 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.663 ' CE2' HD21 ' A' ' 29' ' ' LEU . 45.7 m-85 -48.96 123.87 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -88.93 2.37 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.74 166.51 0.15 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.96 157.12 43.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.62 -3.59 32.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -124.85 20.15 8.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD23 ' CD1' ' A' ' 113' ' ' PHE . 47.6 tp -40.02 -59.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -98.85 53.45 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.42 126.58 27.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.99 38.87 39.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.9 m -122.24 109.11 14.07 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -86.56 126.35 34.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.46 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.4 mt -125.79 143.46 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.743 ' HD2' HG13 ' A' ' 81' ' ' VAL . 55.5 t80 -110.35 118.81 37.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.634 HD22 HD23 ' A' ' 59' ' ' LEU . 47.1 mt -83.14 132.82 35.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.26 136.85 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 108.29 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.92 56.05 16.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.519 ' CE2' HD23 ' A' ' 59' ' ' LEU . 19.1 m-85 -148.24 133.75 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.14 165.71 35.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.29 -120.73 13.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -48.03 10.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.812 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -40.04 -46.14 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.478 HD12 HD13 ' A' ' 48' ' ' LEU . 15.1 tp -72.04 -59.4 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' LEU . 11.7 t70 -39.3 -45.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 29' ' ' LEU . 72.6 mmtt -56.28 -70.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.634 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -41.16 -47.61 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -52.3 -44.1 64.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' LYS . 80.2 mtt180 -73.28 -30.49 63.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.845 HD23 ' CD2' ' A' ' 113' ' ' PHE . 2.7 mp -68.77 -68.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.495 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 8.7 mt -39.41 -54.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.19 -45.3 91.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' LEU . 30.5 t -58.75 -27.85 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' ASP . . . -88.33 -18.67 54.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.51 -1.58 62.14 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.13 167.65 54.87 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -107.56 135.78 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.8 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HD2' HD12 ' A' ' 48' ' ' LEU . 7.7 ttp-105 -103.0 107.86 18.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CZ ' ' CB ' ' A' ' 77' ' ' ASP . 2.0 m-85 -86.53 104.23 15.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.43 -15.31 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -129.49 141.87 50.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.548 HD21 ' HG ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -71.9 126.48 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -147.81 -175.64 4.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -87.31 16.84 4.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.621 ' CB ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -100.88 -48.43 4.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.662 HG21 ' CB ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -54.35 139.06 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.488 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 21.5 p -118.6 5.4 11.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.835 ' HB3' ' HE2' ' A' ' 102' ' ' HIS . 45.3 m80 -155.27 138.69 15.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.564 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.108 HG11 HD12 ' A' ' 90' ' ' LEU . 40.3 t -126.16 109.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.428 ' CG2' ' HA ' ' A' ' 106' ' ' ALA . 1.2 mm -92.08 104.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.595 HG21 ' CG1' ' A' ' 103' ' ' VAL . 33.3 t -86.22 115.41 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.26 -41.6 4.22 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -124.68 -44.86 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -173.63 173.43 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 29.7 p-10 -138.52 92.42 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -94.38 -32.17 13.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' GLN . 3.3 tp10 -67.67 -47.24 70.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.108 HD12 HG11 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -44.91 -49.95 10.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HA ' ' CE3' ' A' ' 94' ' ' TRP . 33.0 mttt -51.33 -37.76 49.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -66.49 -44.12 83.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 97' ' ' SER . 50.9 t80 -65.46 -16.15 63.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.768 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 16.8 m0 -79.61 -12.04 59.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 107.988 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.97 11.1 14.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -110.91 -77.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.43 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 45.9 m -106.83 158.94 16.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.2 96.67 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -175.44 130.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -118.88 94.19 47.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.634 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.01 156.3 42.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.891 ' HE1' HG22 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -61.95 156.08 21.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.595 ' CG1' HG21 ' A' ' 83' ' ' VAL . 18.2 t -135.27 95.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.891 HG22 ' HE1' ' A' ' 102' ' ' HIS . 3.1 m -126.35 178.24 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.38 165.71 23.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.158 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.994 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -58.02 -36.0 72.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.659 ' HA ' HD12 ' A' ' 110' ' ' LEU . 15.6 tttt -38.8 -48.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 62.5 t90 -53.97 -63.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -40.28 -46.58 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 107' ' ' LYS . 26.5 mt -57.89 -59.29 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.1 mm-40 -50.97 -33.74 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.233 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.567 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 34.5 m -64.08 -57.66 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.246 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.845 ' CD2' HD23 ' A' ' 62' ' ' LEU . 47.8 m-85 -69.47 -12.47 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.5 t -90.78 -43.42 10.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.762 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.5 mmtt -79.57 -18.21 52.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.492 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 91.53 -15.99 60.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.791 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 3.7 p90 -136.9 155.37 49.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.502 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 66.4 mtp -65.0 139.84 58.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.791 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -113.76 177.17 4.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.416 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 49.5 m -62.66 141.69 58.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.628 ' HB3' HG11 ' A' ' 104' ' ' VAL . 1.2 mp0 -96.32 -23.83 16.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.586 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 17.8 mt-10 -55.27 -46.37 99.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.98 6.92 3.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.441 ' CD1' ' HB2' ' A' ' 108' ' ' TRP . 45.3 m-85 -133.14 16.11 4.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.519 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 8.4 mm -62.79 144.75 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -109.72 108.99 19.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.569 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.2 t -114.49 145.15 42.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.03 172.32 39.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 138.97 23.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.1 t -165.01 156.18 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.5 t 72.01 -59.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -132.81 113.78 13.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 109.951 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -177.36 134.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.31 89.91 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.52 137.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.794 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 m -110.41 80.97 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.2 152.39 21.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.25 87.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.81 161.3 17.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.75 88.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.0 tp -170.17 126.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -173.13 81.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.327 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -142.81 112.29 6.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.2 130.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -67.99 146.75 53.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER 177.16 160.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' ASN . 49.4 m 61.56 129.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.943 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.93 142.01 2.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD12 ' CB ' ' A' ' 28' ' ' ASN . 4.3 mt -149.84 163.59 37.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.0 146.15 2.19 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.795 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -74.97 57.31 4.51 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -113.61 161.4 17.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.065 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -54.71 -72.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 1.3 mp0 -38.1 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' LEU . 61.4 m-20 -110.47 60.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -97.94 -29.74 13.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -69.39 -51.11 39.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' CB ' HD12 ' A' ' 19' ' ' LEU . 6.0 m-80 -90.86 37.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.795 HD13 ' HA ' ' A' ' 21' ' ' PRO . 20.3 tp -98.96 154.3 18.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.844 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 20.4 t0 -119.03 94.49 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.966 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -65.6 -12.44 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.53 9.82 38.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.844 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -96.98 -44.27 7.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.807 ' CE2' HD21 ' A' ' 62' ' ' LEU . 74.5 m-85 -48.19 120.47 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ALA . 34.6 mt-30 -85.28 -4.11 59.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.96 168.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.04 152.59 40.75 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 65' ' ' SER . 1.5 mt-10 -68.81 -7.43 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -120.16 19.32 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.67 HD23 ' CD1' ' A' ' 113' ' ' PHE . 55.4 tp -38.64 -54.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.624 HD11 ' CZ ' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -104.48 57.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.63 127.57 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.65 41.91 43.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.4 m -120.35 109.37 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.568 ' HG2' ' CE1' ' A' ' 71' ' ' PHE . 4.0 mtm-85 -94.43 114.66 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.492 HG21 ' CG1' ' A' ' 82' ' ' ILE . 1.8 mt -114.41 152.51 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 1.041 ' CD2' HD12 ' A' ' 74' ' ' LEU . 59.2 t80 -110.19 125.53 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.035 HD22 HD13 ' A' ' 59' ' ' LEU . 87.2 mt -90.67 118.79 30.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.6 t -129.93 138.36 50.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 108.289 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.42 61.6 5.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.701 ' O ' HD22 ' A' ' 56' ' ' LEU . 19.6 m-85 -151.8 118.17 5.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 0.759 . . . . 0.0 111.019 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.98 123.03 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.36 -116.43 3.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -90.28 -52.26 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HB3' HD13 ' A' ' 26' ' ' LEU . 1.9 mttt -40.4 -39.51 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 51' ' ' PHE . 14.2 tp -71.1 -69.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -38.84 -42.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 10.9 mmtt -53.52 -64.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.035 HD13 HD22 ' A' ' 48' ' ' LEU . 68.1 mt -46.95 -51.03 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -46.69 -28.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -96.0 -36.38 11.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.966 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -66.96 -60.62 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.845 HD11 HD21 ' A' ' 48' ' ' LEU . 3.6 mt -48.7 -43.86 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -41.01 90.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -51.82 -51.99 52.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -72.39 -2.61 55.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.29 -17.75 49.79 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.49 175.26 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -132.64 121.38 44.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -89.14 131.08 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CE2' ' CB ' ' A' ' 77' ' ' ASP . 2.3 m-85 -103.2 116.93 33.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -58.09 -32.58 68.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -122.96 135.22 54.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.041 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -74.46 146.04 43.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 77' ' ' ASP . 7.3 p-10 176.93 -178.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 6.5 mt-10 -64.26 74.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.62 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 4.0 m-20 -168.31 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -73.5 117.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 45' ' ' ARG . 77.8 p -84.12 -18.13 37.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.761 ' O ' HG23 ' A' ' 78' ' ' VAL . 3.5 m80 -143.06 147.52 35.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.573 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.655 HG11 HD22 ' A' ' 90' ' ' LEU . 65.8 t -121.17 117.36 52.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.566 HD13 HG23 ' A' ' 104' ' ' VAL . 4.1 mm -97.75 101.57 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 87' ' ' ASP . 95.6 t -92.79 131.97 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.88 -61.26 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.65 -38.2 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 8.4 p90 -171.52 165.44 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.552 ' HB3' HG22 ' A' ' 83' ' ' VAL . 5.5 p-10 -137.02 97.56 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -85.93 -33.86 21.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -62.08 -39.94 94.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.655 HD22 HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -47.99 -61.02 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -42.87 -42.74 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -64.05 -47.66 79.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.628 ' CD2' HD22 ' A' ' 74' ' ' LEU . 29.1 t80 -59.57 -19.89 51.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -81.94 -19.45 40.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.979 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -106.78 9.07 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -82.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 76' ' ' GLU . 47.1 m -105.0 158.29 16.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.31 97.22 10.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -167.34 130.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.01 94.12 37.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.42 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.0 -179.97 5.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -92.53 113.81 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.573 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.645 HG22 HD21 ' A' ' 90' ' ' LEU . 39.6 t -92.97 98.88 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.935 HG11 ' CB ' ' A' ' 121' ' ' GLU . 21.4 m -130.52 177.15 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.62 150.84 18.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 1.065 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -44.39 -38.11 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.613 ' H ' HD23 ' A' ' 23' ' ' LEU . 10.1 tttt -38.6 -48.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.554 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 23.8 t90 -55.27 -58.61 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 107.994 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.571 HD11 HG13 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -44.95 -45.9 10.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 21' ' ' PRO . 53.1 mt -55.58 -64.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.0 mm-40 -46.65 -42.5 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.495 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 59.6 m -50.7 -45.74 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.764 ' CD2' HD23 ' A' ' 62' ' ' LEU . 43.0 m-85 -78.64 -48.2 15.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.3 t -54.33 -36.33 63.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.824 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.7 mmtt -83.45 -26.0 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.478 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . 93.41 -13.45 67.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.727 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 4.0 p90 -137.47 139.72 40.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.8 mtp -53.11 140.03 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.824 HD11 ' HG3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -116.14 177.46 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -69.57 147.91 50.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.935 ' CB ' HG11 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -97.56 -24.22 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.569 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 0.7 OUTLIER -48.71 -47.79 71.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -75.02 3.77 5.33 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.554 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 72.1 m-85 -134.75 24.89 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.561 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 2.8 mm -66.53 154.93 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.587 ' HB3' HG12 ' A' ' 103' ' ' VAL . 3.0 t-160 -113.15 111.35 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.62 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 t -87.18 147.66 25.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -140.12 -74.68 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.42 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 82.3 p -145.03 160.49 41.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 t -127.92 162.67 26.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -71.69 151.9 43.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -98.46 92.27 5.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.064 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.68 115.48 1.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -59.94 126.46 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.79 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.45 160.9 31.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.07 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.26 95.8 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.35 88.17 1.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.756 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -92.69 111.75 23.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.2 p -168.17 89.39 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pt -108.97 131.0 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.5 p -174.42 147.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.259 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 61.72 147.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.49 117.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.64 152.69 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.73 116.48 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.28 118.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.58 150.08 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -155.45 157.87 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -42.5 153.28 0.31 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 58.14 4.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.421 HG23 ' HB3' ' A' ' 20' ' ' GLU . 20.6 p -108.03 153.78 22.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.959 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -49.0 -57.33 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.15 -23.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -120.91 61.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.871 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -93.13 -42.23 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 5.3 mt-10 -74.47 -24.75 59.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -107.03 24.92 12.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.845 HD12 ' H ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -101.0 155.27 18.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.845 ' H ' HD12 ' A' ' 29' ' ' LEU . 12.0 t0 -116.0 92.49 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.932 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.7 p -53.41 -33.0 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -6.01 31.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -76.94 -46.75 23.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.671 ' CE2' HD21 ' A' ' 62' ' ' LEU . 64.5 m-85 -51.03 127.12 18.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 6.0 tt0 -91.39 -3.58 56.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -41.68 162.84 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.02 159.65 41.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' CA ' ' A' ' 67' ' ' GLY . 2.2 mt-10 -75.07 -11.99 60.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.68 20.86 16.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.487 HD22 ' HB1' ' A' ' 36' ' ' ALA . 37.1 tp -43.05 -58.79 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.83 HD13 ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -106.68 39.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -44.52 122.51 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.12 40.54 97.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 56.1 m -120.7 107.4 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' THR . 11.7 mtt-85 -83.3 101.79 11.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.83 ' CD1' HD13 ' A' ' 41' ' ' LEU . 3.5 mt -102.18 165.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.827 ' CE2' HD12 ' A' ' 74' ' ' LEU . 78.1 t80 -144.55 170.96 15.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 47' ' ' TYR . 2.2 mm? -125.6 125.03 42.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 87' ' ' ASP . 7.0 t -127.75 98.8 5.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.29 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.81 24.48 5.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.41 ' CE1' HD21 ' A' ' 59' ' ' LEU . 57.8 m-85 -119.58 169.52 9.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.15 -74.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . -55.09 -165.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLY . 47.9 mtt180 -38.46 -38.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.871 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.3 mttt -42.42 -48.01 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASP . 1.4 tp -65.54 -69.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.8 t70 -39.26 -42.14 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.684 ' O ' HD12 ' A' ' 62' ' ' LEU . 10.0 mmtt -50.06 -62.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -55.3 -46.45 76.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -48.93 -47.71 43.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -68.87 -42.18 77.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.932 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -59.61 -66.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.566 HD13 ' HD2' ' A' ' 70' ' ' ARG . 4.6 mt -37.81 -55.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.69 -44.44 96.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 20.0 t -61.88 -14.03 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -110.42 -1.55 29.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 38' ' ' GLU . . . 87.15 -18.86 33.96 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 41' ' ' LEU . . . -51.13 155.12 3.55 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 13.5 t -92.89 111.5 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.566 ' HD2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -87.22 100.16 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.483 ' O ' ' CZ ' ' A' ' 70' ' ' ARG . 1.6 m-30 -73.94 154.37 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -90.3 -30.97 17.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -136.3 146.24 46.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.827 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -70.3 164.03 25.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.763 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.4 OUTLIER 156.82 -175.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 17.4 mt-10 -65.9 90.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.482 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.2 m-20 169.53 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 80' ' ' HIS . 74.0 t -59.13 106.94 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 72.6 p -76.83 -16.29 59.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.51 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 18.8 m80 -152.17 142.31 22.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.023 HG11 HD12 ' A' ' 90' ' ' LEU . 75.3 t -119.93 101.84 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.495 ' HB ' HD13 ' A' ' 48' ' ' LEU . 1.6 mm -83.83 117.05 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.574 ' CG2' HG13 ' A' ' 103' ' ' VAL . 44.4 t -103.36 141.68 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.8 -38.34 3.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -134.83 -49.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -158.03 166.27 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 19.4 p-10 -123.43 85.88 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -93.12 -28.48 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.23 -42.15 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.023 HD12 HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -44.87 -52.68 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' LEU . 18.8 mttm -39.28 -47.43 1.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.6 -52.31 64.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 75' ' ' ASN . 9.6 t80 -58.1 -21.97 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.624 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 10.9 m0 -82.71 -25.44 32.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 108.012 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -88.56 -0.28 57.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -108.01 -66.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.467 ' CB ' ' HG3' ' A' ' 76' ' ' GLU . 58.8 m -118.09 158.6 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.22 98.24 10.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -152.98 146.97 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.572 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.67 89.29 51.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.474 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.05 178.18 7.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.06 102.23 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.574 HG13 ' CG2' ' A' ' 83' ' ' VAL . 55.0 t -85.33 95.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.628 HG11 ' HB3' ' A' ' 121' ' ' GLU . 32.8 m -125.23 175.61 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.41 149.75 18.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.959 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.03 -35.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.69 ' H ' HD23 ' A' ' 23' ' ' LEU . 4.3 tttt -39.34 -46.99 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.592 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 49.1 t90 -59.48 -64.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.548 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -38.02 -51.31 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' SER . 25.9 mt -54.25 -63.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 119' ' ' LEU . 4.4 mm-40 -44.12 -40.08 4.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 68.8 m -60.59 -57.28 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.74 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -68.92 -11.56 60.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' LEU . 31.1 t -88.56 -46.02 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.68 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.3 mmtt -76.59 -21.79 55.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.407 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 98.54 -15.22 61.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.598 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 13.1 p90 -134.25 164.83 26.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.4 mtp -73.92 135.24 43.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.68 HD11 ' HG3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -109.6 176.79 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.444 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 8.1 m -67.44 145.81 54.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.628 ' HB3' HG11 ' A' ' 104' ' ' VAL . 1.7 mp0 -95.02 -10.24 31.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.644 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 32.0 mt-10 -63.75 -43.11 75.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.05 2.11 7.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.499 ' O ' HG12 ' A' ' 104' ' ' VAL . 96.8 m-85 -138.93 43.22 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 30.7 mm -87.08 149.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.464 ' HB3' HG12 ' A' ' 103' ' ' VAL . 1.8 t-80 -114.02 106.3 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.7 t -117.11 -60.33 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 124.71 -103.41 0.74 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 115.86 4.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.79 33.19 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.8 m -146.02 148.19 32.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HA ' HD23 ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 p -114.6 155.4 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.967 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -50.23 -57.73 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 42.6 mt-10 -37.9 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . 8.9 m-20 -126.03 53.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -80.12 -44.67 19.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 3.6 mt-10 -59.4 -25.33 64.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -121.29 35.37 4.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.991 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -94.82 122.82 37.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.756 ' N ' HD22 ' A' ' 29' ' ' LEU . 48.4 t0 -80.16 85.59 5.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.838 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.3 p -54.46 -33.43 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -8.21 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -75.37 -46.51 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CE2' HD21 ' A' ' 29' ' ' LEU . 62.3 m-85 -48.0 116.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -79.88 -1.16 37.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.581 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -42.91 164.61 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.02 157.0 42.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -73.7 -3.03 25.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -126.38 20.99 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD22 ' HB1' ' A' ' 36' ' ' ALA . 38.6 tp -39.78 -58.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.742 HD11 ' HE1' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -107.25 63.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.74 124.83 23.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.54 38.65 58.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.0 m -112.3 105.83 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.4 mtm-85 -89.52 111.93 22.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.693 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.5 mp -111.3 150.6 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.912 ' CE2' HD12 ' A' ' 74' ' ' LEU . 73.2 t80 -110.31 116.27 31.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.745 HD22 HD23 ' A' ' 59' ' ' LEU . 81.7 mt -87.97 130.91 34.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.18 137.25 25.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 108.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.35 -70.48 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 106' ' ' ALA . 43.7 m-85 -42.02 161.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.12 -56.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.85 -132.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 50.3 mtt-85 -71.32 -38.92 71.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HB3' HD13 ' A' ' 26' ' ' LEU . 10.5 mttt -40.19 -49.27 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 HD13 ' A' ' 48' ' ' LEU . 40.8 tp -66.88 -58.21 5.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.69 -34.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 61' ' ' ARG . 49.6 mmtt -66.74 -68.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.745 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -38.64 -40.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -57.26 -51.34 69.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 65' ' ' SER . 66.4 mtt85 -69.5 -31.16 69.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.838 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.6 mp -69.26 -71.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.9 mt -38.65 -54.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -61.19 -44.59 97.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 2.7 t -54.81 -36.32 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -91.65 5.56 79.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.97 -20.62 27.91 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -46.82 164.88 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -119.98 122.87 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.568 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.61 106.42 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 73' ' ' GLN . 1.1 m-85 -80.32 141.27 35.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -79.35 -23.21 43.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 2.5 mt-30 -129.99 175.0 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.912 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -101.29 159.0 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.585 ' H ' HD23 ' A' ' 74' ' ' LEU . 35.2 m-80 -173.4 -175.71 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -74.64 -15.51 60.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -73.93 -35.46 64.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 80' ' ' HIS . 55.4 t -44.67 122.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.551 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 47.3 p -99.09 -12.41 20.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.693 ' HB2' HG23 ' A' ' 46' ' ' ILE . 25.5 m80 -159.72 159.47 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 47' ' ' TYR . 41.6 t -137.6 96.27 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.677 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.2 mm -77.49 105.28 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.654 ' CG2' HG13 ' A' ' 103' ' ' VAL . 58.0 t -95.25 150.95 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.11 -34.22 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -141.64 -49.13 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.75 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.543 ' CE2' ' OD1' ' A' ' 88' ' ' ASP . 0.4 OUTLIER -168.21 145.85 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -116.43 104.71 11.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.543 ' OD1' ' CE2' ' A' ' 86' ' ' TYR . 44.2 m-20 -79.87 -56.71 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -40.04 -43.78 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.597 HD21 ' CG2' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -41.45 -48.46 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -55.94 -52.68 63.27 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -55.25 -54.01 48.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.57 ' CD2' HD22 ' A' ' 74' ' ' LEU . 35.6 t80 -53.32 -35.72 60.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -67.92 -33.1 74.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -80.51 -10.69 59.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -96.19 -79.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.7 m -99.1 157.79 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.57 99.01 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -159.77 156.45 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -125.79 92.0 47.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.0 36.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -84.88 105.16 15.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.654 HG13 ' CG2' ' A' ' 83' ' ' VAL . 85.1 t -92.03 109.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.793 HG21 ' OE2' ' A' ' 121' ' ' GLU . 29.7 m -135.35 177.37 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.76 148.5 18.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.967 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -41.96 -35.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.403 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.0 tttt -40.73 -48.31 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.553 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 35.5 t90 -57.73 -61.16 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.494 ' HG ' HD11 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -39.36 -49.14 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 mt -56.08 -64.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 119' ' ' LEU . 4.3 mm-40 -42.14 -42.0 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 71.9 m -58.34 -57.8 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.742 ' HE1' HD11 ' A' ' 41' ' ' LEU . 21.5 m-85 -68.46 -8.71 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.8 t -91.81 -44.05 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HG3' HD11 ' A' ' 119' ' ' LEU . 1.6 mmtt -80.11 -21.62 43.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.78 -9.96 68.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.543 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 13.0 p90 -140.47 156.66 46.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.7 mtp -63.99 142.12 58.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.595 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.1 mt -116.15 176.74 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.451 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 58.5 m -64.84 146.26 55.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.793 ' OE2' HG21 ' A' ' 104' ' ' VAL . 1.6 mm-40 -96.19 -24.22 16.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.614 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.3 mt-10 -55.27 -44.39 99.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.16 5.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.597 ' O ' HG12 ' A' ' 104' ' ' VAL . 69.4 m-85 -139.45 41.33 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 24.2 mm -85.36 140.68 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -101.67 109.96 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.679 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.0 p -119.27 159.41 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.785 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -53.4 -58.11 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.52 -21.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -122.26 60.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.704 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -93.87 -41.43 9.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.04 -37.86 84.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -103.82 45.73 0.95 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 21' ' ' PRO . 21.5 tp -102.74 149.75 24.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' H ' HD12 ' A' ' 29' ' ' LEU . 43.3 t0 -114.74 80.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.888 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -54.06 -23.33 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -15.24 60.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -47.46 62.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.689 ' CE2' HD21 ' A' ' 62' ' ' LEU . 45.9 m-85 -46.49 124.46 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ALA . 9.8 mm-40 -94.0 -1.75 54.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.06 166.65 0.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.04 154.81 42.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.432 1.754 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.18 -5.34 31.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -120.76 19.32 11.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.518 HD22 ' HB1' ' A' ' 36' ' ' ALA . 37.7 tp -39.95 -58.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -104.59 66.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.98 123.29 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.59 37.68 93.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.5 m -119.4 108.79 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.545 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 4.4 mtt180 -91.88 109.26 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.616 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.6 mp -110.3 154.47 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.689 ' HB3' HG22 ' A' ' 81' ' ' VAL . 4.0 t80 -118.07 123.49 45.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.79 HD22 HD23 ' A' ' 59' ' ' LEU . 91.9 mt -89.56 129.74 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.54 139.09 45.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . 93.75 -68.91 1.47 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE1' ' CA ' ' A' ' 84' ' ' GLY . 30.3 m-85 -37.52 154.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -153.03 -68.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.96 -145.03 0.47 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -44.16 -45.0 8.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.704 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -42.85 -47.93 5.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.58 HD12 HD13 ' A' ' 48' ' ' LEU . 35.9 tp -71.94 -63.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -35.49 -40.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' ARG . 14.1 mmtt -55.67 -69.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.79 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -41.99 -48.34 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -48.62 -41.58 31.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LYS . 85.3 mtt180 -75.9 -35.38 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.888 ' HG ' HG23 ' A' ' 31' ' ' VAL . 2.7 mp -67.39 -69.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' LEU . 15.8 mt -37.29 -56.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -47.63 85.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' LEU . 9.4 t -55.19 -29.44 57.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -92.01 -15.9 52.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.52 -16.62 54.78 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.88 161.2 5.01 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 t -111.38 116.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 101.55 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 1.1 m-30 -76.55 121.95 23.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -74.81 -17.41 60.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -129.75 152.9 48.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.689 HD22 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -98.35 162.11 13.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.584 ' H ' HD23 ' A' ' 74' ' ' LEU . 1.2 p-10 157.47 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -64.36 93.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 165.91 -34.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.528 HG21 ' HG ' ' A' ' 74' ' ' LEU . 51.1 t -54.83 115.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 50.4 p -85.89 -19.48 30.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.616 ' HB2' HG23 ' A' ' 46' ' ' ILE . 23.0 m80 -155.25 161.68 41.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.732 HG11 HD21 ' A' ' 90' ' ' LEU . 40.6 t -140.18 96.24 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.633 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.3 mm -78.57 108.64 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 86' ' ' TYR . 82.9 t -93.71 131.13 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.581 ' CA ' ' CE1' ' A' ' 51' ' ' PHE . . . -94.1 -40.68 4.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -133.54 -47.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.75 ' O ' HG13 ' A' ' 83' ' ' VAL . 2.9 m-85 -151.21 176.78 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' HB3' HG22 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -144.29 75.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' GLU . 58.7 m-20 -82.88 -48.15 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.2 OUTLIER -37.79 -39.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.732 HD21 HG11 ' A' ' 81' ' ' VAL . 4.1 mm? -47.9 -54.53 12.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' LEU . 19.7 mttt -38.39 -56.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.89 -53.73 24.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.689 ' CD2' HD22 ' A' ' 74' ' ' LEU . 14.9 t80 -64.3 -32.61 74.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.581 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 26.2 m0 -74.38 -11.55 60.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -101.61 -0.32 34.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.228 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -110.61 -83.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -96.47 158.16 15.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.5 98.42 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -163.81 136.3 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.79 100.54 46.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.54 8.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -86.95 102.33 14.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.652 HG13 ' CG2' ' A' ' 83' ' ' VAL . 71.0 t -88.89 96.47 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.669 HG11 ' HB3' ' A' ' 121' ' ' GLU . 28.4 m -122.99 175.74 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.3 150.63 17.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.785 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.39 -36.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -38.89 -43.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.595 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 49.8 t90 -63.82 -64.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.561 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -38.96 -52.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.7 mt -50.46 -64.47 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.5 mm-40 -47.41 -41.07 19.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 31.2 m -53.84 -56.79 14.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CE2' HD22 ' A' ' 109' ' ' LEU . 37.0 m-85 -68.63 -38.19 80.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -61.9 -41.87 98.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.14 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.739 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.2 mmtt -79.86 -25.98 40.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.71 -11.53 66.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.78 ' CE2' HD23 ' A' ' 119' ' ' LEU . 9.1 p90 -140.37 149.16 42.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.477 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 60.7 mtp -59.88 140.76 56.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.78 HD23 ' CE2' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -116.29 177.15 4.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.454 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 9.8 m -62.88 144.56 56.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.669 ' HB3' HG11 ' A' ' 104' ' ' VAL . 0.8 OUTLIER -95.89 -10.14 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 21.4 mt-10 -66.53 -42.87 49.36 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.93 2.83 6.15 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.555 ' O ' HG12 ' A' ' 104' ' ' VAL . 97.3 m-85 -140.23 42.48 1.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 25.7 mm -84.9 145.59 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.64 ' HB3' HG12 ' A' ' 103' ' ' VAL . 3.6 t-80 -106.5 110.77 23.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.614 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.651 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -117.03 152.96 33.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -43.08 -58.89 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.13 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -76.12 57.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.401 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 21.2 tp -96.74 -27.46 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.66 -42.91 70.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -96.14 36.36 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.651 HD13 ' HA ' ' A' ' 21' ' ' PRO . 9.4 tp -92.32 158.84 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.453 ' H ' HD12 ' A' ' 29' ' ' LEU . 19.3 t0 -120.41 84.65 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.94 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -53.45 -23.37 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -20.34 59.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.47 73.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.784 ' CE2' HD21 ' A' ' 62' ' ' LEU . 38.5 m-85 -45.73 119.11 2.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 13.2 tt0 -90.23 -0.91 57.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.66 168.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 159.43 41.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' SER . 28.0 mt-10 -76.13 -3.32 35.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -123.95 21.42 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.406 HD13 ' HD2' ' A' ' 37' ' ' PRO . 51.3 tp -40.46 -59.16 1.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -102.36 54.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.51 131.3 49.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.63 42.46 20.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.26 109.32 13.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 3.7 mtm-85 -91.13 111.19 22.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.7 mp -110.68 151.37 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CZ ' HD12 ' A' ' 74' ' ' LEU . 9.9 t80 -114.34 120.16 39.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.871 HD22 HD23 ' A' ' 59' ' ' LEU . 44.9 mt -82.73 120.65 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.616 ' SG ' HG13 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -124.09 130.75 53.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 108.351 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.33 63.1 3.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' O ' HD22 ' A' ' 56' ' ' LEU . 22.0 m-85 -153.16 128.97 10.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.54 133.32 4.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.962 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.37 -111.56 4.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 mtt85 -90.54 -49.99 6.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -45.76 -42.03 11.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 51' ' ' PHE . 9.5 tp -71.22 -68.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 56' ' ' LEU . 2.5 t0 -34.6 -47.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -52.1 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.871 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.29 -48.95 24.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 10.8 mtm180 -47.79 -43.8 27.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -73.62 -41.29 62.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.94 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.3 mp -58.48 -67.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.41 HG13 HD21 ' A' ' 109' ' ' LEU . 17.2 mt -40.89 -54.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -45.51 90.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 19.4 t -55.65 -37.44 68.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -87.38 0.39 85.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.88 -13.92 54.64 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.402 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -51.85 160.75 2.16 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 t -112.65 116.16 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.429 ' HD2' HD12 ' A' ' 48' ' ' LEU . 20.1 ttp-105 -80.8 105.35 11.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.485 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -79.92 124.02 28.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -75.79 -16.45 60.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -126.57 167.97 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.679 HD23 ' H ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -107.98 160.86 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.679 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER 170.23 -176.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.07 -16.09 63.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.25 -44.31 72.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.8 t -43.93 128.65 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.532 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.4 p -105.81 -9.99 16.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.686 ' HB2' HG23 ' A' ' 46' ' ' ILE . 26.7 m80 -158.95 157.2 30.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.738 HG11 HD21 ' A' ' 90' ' ' LEU . 36.1 t -137.01 99.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 1.2 mm -81.53 103.97 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.719 ' CG2' HG13 ' A' ' 103' ' ' VAL . 49.0 t -86.21 122.83 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.41 -47.24 3.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.545 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 1.5 t0 -122.74 -46.35 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 8.1 p90 -164.45 153.75 13.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.548 ' OD1' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -112.75 85.67 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' LYS . 86.8 m-20 -93.51 -52.33 4.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -37.58 -36.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.738 HD21 HG11 ' A' ' 81' ' ' VAL . 2.8 mm? -50.65 -52.06 43.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' ASP . 13.3 mttt -38.69 -53.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -55.48 -54.53 42.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CD2' HD22 ' A' ' 74' ' ' LEU . 20.1 t80 -57.26 -43.82 83.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.581 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 16.3 m0 -63.8 -27.42 69.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.11 -10.02 59.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.89 -83.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 63.0 m -95.64 157.73 15.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.52 98.92 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -155.4 149.37 25.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.566 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -125.46 90.46 50.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 166.66 28.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -78.32 101.79 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.631 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.719 HG13 ' CG2' ' A' ' 83' ' ' VAL . 97.1 t -90.2 96.88 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 124' ' ' TYR . 35.4 m -124.8 178.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.37 151.54 17.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.615 ' HB3' HD22 ' A' ' 23' ' ' LEU . . . -42.58 -37.95 1.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' ALA . 16.1 tttt -38.68 -48.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.554 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 54.2 t90 -52.42 -67.45 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 109' ' ' LEU . 10.6 tp -40.02 -59.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.404 HD23 HD22 ' A' ' 62' ' ' LEU . 42.1 mt -39.91 -62.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 1.9 mm-40 -55.38 -41.86 73.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 43.2 m -52.21 -51.2 59.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.522 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 24.0 m-85 -71.97 -43.96 64.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.0 t -56.53 -39.38 73.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.726 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.4 mmtt -80.89 -25.46 37.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.441 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 94.61 -11.15 70.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.808 ' CE2' HD23 ' A' ' 119' ' ' LEU . 11.7 p90 -139.46 148.24 42.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 75.6 mtp -59.98 137.66 58.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.808 HD23 ' CE2' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -111.56 176.92 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.454 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 2.6 p -62.04 147.02 48.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 125' ' ' ILE . 3.7 mt-10 -95.66 -11.16 27.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 18.9 mt-10 -65.7 -43.76 61.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.98 11.59 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.524 ' O ' HG12 ' A' ' 104' ' ' VAL . 96.6 m-85 -149.85 43.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 26.1 mm -90.49 149.84 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.429 ' HB3' HG12 ' A' ' 103' ' ' VAL . 1.9 t-80 -114.04 107.49 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 p -96.27 173.91 7.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.713 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -63.47 -63.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.23 -56.52 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -88.14 58.82 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.873 HD12 HD23 ' A' ' 29' ' ' LEU . 50.8 tp -98.05 -35.28 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.587 1.179 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -65.8 -48.64 71.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -73.49 -28.93 62.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.873 HD23 HD12 ' A' ' 26' ' ' LEU . 2.0 tp -46.15 141.28 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.0 t0 -108.12 93.58 4.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.804 HG23 ' HG ' ' A' ' 62' ' ' LEU . 1.7 p -52.44 -35.92 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -64.25 -10.9 26.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -73.58 -46.7 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.797 ' CE2' HD21 ' A' ' 62' ' ' LEU . 52.9 m-85 -48.61 126.47 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -92.22 4.79 52.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.73 167.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.95 167.63 26.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -86.5 10.78 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.33 22.56 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 116' ' ' GLY . 54.2 tp -41.76 -67.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.872 HD11 HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -93.29 54.24 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.64 128.08 34.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.97 40.29 72.43 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.6 m -123.26 114.73 20.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.446 ' CD ' ' CE1' ' A' ' 71' ' ' PHE . 9.9 mtm-85 -95.58 111.32 23.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.502 HG21 ' CG1' ' A' ' 82' ' ' ILE . 1.5 mp -111.31 156.58 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.721 ' HB3' HG22 ' A' ' 81' ' ' VAL . 70.6 t80 -120.2 123.25 42.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.945 HD22 HD23 ' A' ' 59' ' ' LEU . 97.0 mt -92.52 129.77 38.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -145.27 139.08 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.58 69.05 1.42 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.68 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 7.2 m-85 -147.48 -78.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.415 ' N ' ' HB2' ' A' ' 56' ' ' LEU . 4.0 p 53.33 173.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.84 -157.72 15.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -55.51 -46.35 76.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.2 -50.0 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.486 HD12 HD13 ' A' ' 48' ' ' LEU . 27.5 tp -66.15 -57.22 8.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.46 -42.12 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ARG . 46.6 mmtt -55.16 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.945 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -42.19 -48.84 4.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -49.41 -40.41 36.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' LYS . 77.6 mtt180 -78.52 -40.67 34.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.84 HD23 ' CD2' ' A' ' 113' ' ' PHE . 1.0 OUTLIER -60.88 -65.82 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.457 HG13 HD21 ' A' ' 109' ' ' LEU . 16.5 mt -39.3 -54.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.85 -45.14 82.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -58.67 -23.5 59.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -97.92 -14.84 38.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.65 -15.77 61.43 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.22 167.83 0.82 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.2 t -118.14 117.92 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.503 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.46 105.58 9.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.446 ' CE1' ' CD ' ' A' ' 45' ' ' ARG . 1.3 m-85 -79.68 129.56 34.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.49 ' OD1' ' CZ ' ' A' ' 70' ' ' ARG . 2.2 m120 -96.15 10.42 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -143.13 149.65 38.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -93.26 122.23 35.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -154.28 -177.22 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -74.14 -26.84 60.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -57.07 -34.86 68.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.48 130.23 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.454 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 50.2 p -105.15 -14.63 15.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.481 ' HB2' HG23 ' A' ' 46' ' ' ILE . 21.2 m80 -155.95 159.04 38.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.768 HG11 ' CD1' ' A' ' 90' ' ' LEU . 44.7 t -138.97 104.71 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.693 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.1 mm -85.6 112.69 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.595 ' CG2' HG13 ' A' ' 103' ' ' VAL . 44.4 t -101.87 138.5 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.9 -44.92 1.69 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 3.8 m-20 -124.46 -45.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 11.0 p90 -167.74 165.15 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' OD2' HD13 ' A' ' 90' ' ' LEU . 15.6 p-10 -130.55 100.06 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' GLU . 9.5 m-20 -93.73 -54.61 3.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' ASP . 2.6 tt0 -38.23 -45.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.768 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -44.97 -57.27 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -40.07 -44.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.74 -46.65 81.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.46 ' CG ' HD12 ' A' ' 74' ' ' LEU . 11.9 t80 -64.1 -25.79 68.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.576 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 5.9 m0 -75.43 -23.16 56.93 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -90.93 -7.85 50.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -99.74 -72.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.406 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 68.5 m -103.69 157.8 16.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -99.74 99.3 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -162.15 149.27 13.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.564 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -121.2 91.3 48.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.66 30.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.406 ' CB ' ' OE1' ' A' ' 121' ' ' GLU . 21.0 m-70 -83.4 102.52 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.592 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.645 HG12 ' HB3' ' A' ' 126' ' ' HIS . 94.5 t -91.49 94.6 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 124' ' ' TYR . 27.2 m -120.68 174.63 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.77 149.72 18.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.713 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.56 -37.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' ALA . 6.0 tttm -38.34 -41.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 124' ' ' TYR . 50.0 t90 -63.32 -69.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.872 HD11 HD11 ' A' ' 41' ' ' LEU . 17.5 tp -41.56 -48.42 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 mt -48.58 -63.52 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.5 mm-40 -51.11 -44.66 61.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 73.4 m -51.06 -59.61 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.84 ' CD2' HD23 ' A' ' 62' ' ' LEU . 23.6 m-85 -63.47 -7.47 6.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.48 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.69 -41.77 11.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.2 OUTLIER -87.48 -25.2 23.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.66 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 97.75 -12.51 64.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.751 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.5 p90 -129.54 145.72 51.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 70.5 mtp -60.35 143.95 51.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.751 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -117.14 176.82 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.44 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 23.5 m -64.0 147.06 52.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.543 ' CB ' HG11 ' A' ' 104' ' ' VAL . 29.5 mt-10 -95.48 -19.45 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 21.0 mt-10 -55.79 -44.22 99.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.12 5.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.576 ' O ' HG12 ' A' ' 104' ' ' VAL . 97.6 m-85 -141.76 44.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 31.1 mm -87.87 149.52 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.645 ' HB3' HG12 ' A' ' 103' ' ' VAL . 5.0 t-80 -111.53 107.66 16.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 1.009 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.5 p -122.62 165.53 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.136 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -62.27 -62.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -42.58 -26.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 23' ' ' LEU . 1.3 m-20 -120.0 58.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -86.14 -35.96 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -66.87 -35.53 80.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -105.48 38.18 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.009 HD13 ' HA ' ' A' ' 21' ' ' PRO . 14.2 tp -100.66 136.99 39.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.486 ' H ' HD12 ' A' ' 29' ' ' LEU . 50.6 t0 -97.96 98.03 9.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.977 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -69.44 -19.36 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.62 6.22 32.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.474 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -92.7 -44.46 8.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.975 ' CE2' HD21 ' A' ' 62' ' ' LEU . 65.8 m-85 -47.66 118.62 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 17.7 tt0 -87.57 -2.43 58.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.654 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.3 169.91 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.95 157.4 43.01 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 65' ' ' SER . 4.4 mt-10 -74.36 -2.29 24.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.02 27.71 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.502 HD23 ' CE1' ' A' ' 113' ' ' PHE . 38.5 tp -46.49 -62.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -101.08 41.17 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -46.27 128.38 9.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.06 42.45 39.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.7 m -119.21 110.19 16.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 5.3 mtt-85 -93.21 109.54 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.513 HG21 ' CG1' ' A' ' 82' ' ' ILE . 1.6 mt -110.29 140.86 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.735 ' CZ ' HD12 ' A' ' 74' ' ' LEU . 27.9 t80 -94.91 114.66 26.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.069 HD22 HD13 ' A' ' 59' ' ' LEU . 63.9 mt -84.31 116.61 23.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' PHE . 4.4 t -117.9 163.68 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.317 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.08 -65.52 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.682 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 18.6 m-85 -37.46 140.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 t -156.41 -49.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.039 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.84 -116.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -81.14 -43.5 19.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.813 ' HB3' HD13 ' A' ' 26' ' ' LEU . 3.2 mttt -40.04 -40.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.539 HD12 HD13 ' A' ' 48' ' ' LEU . 18.2 tp -71.8 -64.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' LEU . 8.6 t0 -39.85 -45.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 29' ' ' LEU . 24.6 mmtt -56.65 -61.91 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.069 HD13 HD22 ' A' ' 48' ' ' LEU . 71.0 mt -48.81 -50.91 32.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG2' ' CD ' ' A' ' 70' ' ' ARG . 63.2 mtp180 -43.71 -26.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 59' ' ' LEU . 91.7 mtt180 -92.51 -39.39 11.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.977 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -64.56 -63.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.849 HD11 HD21 ' A' ' 48' ' ' LEU . 3.2 mt -48.63 -31.17 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.03 -47.16 16.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -53.85 -48.09 70.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -72.32 -2.08 53.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.31 -15.57 53.35 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -48.42 172.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.94 113.39 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.722 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -76.03 120.04 20.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -103.38 124.64 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -78.19 -18.73 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -119.41 164.45 15.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.735 HD12 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -105.31 158.6 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.433 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER 167.82 173.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -56.57 -16.86 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -70.96 -27.04 63.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.423 HG11 HG22 ' A' ' 81' ' ' VAL . 43.6 t -66.95 125.48 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.559 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 31.9 p -101.65 -12.49 18.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 79' ' ' THR . 23.6 m80 -159.96 143.69 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.923 HG11 HD22 ' A' ' 90' ' ' LEU . 72.7 t -122.18 102.74 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.513 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.5 mm -83.17 100.79 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.02 HG22 ' OD2' ' A' ' 87' ' ' ASP . 87.2 t -82.06 138.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.13 -17.18 5.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -132.54 -69.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.504 ' CG ' ' N ' ' A' ' 87' ' ' ASP . 8.3 p90 -159.02 -40.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.02 ' OD2' HG22 ' A' ' 83' ' ' VAL . 6.2 m-20 68.1 110.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.411 ' HB2' ' CE2' ' A' ' 86' ' ' TYR . 1.8 t0 -94.42 -45.2 7.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' GLN . 2.3 tt0 -44.87 -41.64 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.923 HD22 HG11 ' A' ' 81' ' ' VAL . 1.1 tp -46.6 -35.65 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -71.31 -41.78 69.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -67.6 -47.84 68.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.48 ' CG ' HD22 ' A' ' 74' ' ' LEU . 32.4 t80 -56.17 -30.67 62.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -71.56 -20.89 61.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 107.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -6.14 42.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -99.55 -82.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.8 m -93.86 157.84 15.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.961 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.16 98.9 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -164.06 153.12 13.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.633 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.25 89.49 51.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.361 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.448 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.94 155.78 43.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.438 1.757 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -71.59 101.6 2.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.562 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.852 HG22 HD21 ' A' ' 90' ' ' LEU . 46.7 t -87.78 94.72 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 121' ' ' GLU . 33.3 m -129.41 179.29 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -107.1 150.52 16.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 1.136 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.17 -37.35 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.734 ' H ' HD23 ' A' ' 23' ' ' LEU . 7.9 tttt -39.72 -43.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 36.2 t90 -57.96 -65.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 41' ' ' LEU . 18.2 tp -40.74 -58.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.584 HD22 HD21 ' A' ' 29' ' ' LEU . 23.9 mt -39.12 -59.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 1.2 mm-40 -57.18 -39.02 74.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 34.3 m -54.44 -50.21 68.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.557 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 28.5 m-85 -74.68 -43.13 56.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.3 t -56.59 -40.19 74.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.752 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.6 mmtt -80.61 -25.77 38.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.431 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 98.18 -13.72 63.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.731 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.1 p90 -139.45 150.61 45.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 37.3 mtp -61.1 140.08 57.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.752 HD11 ' HG3' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -113.71 177.01 4.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.464 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 52.9 m -61.7 143.23 56.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.058 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.564 ' HB3' HG11 ' A' ' 104' ' ' VAL . 0.7 OUTLIER -95.97 -10.99 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 26.5 mt-10 -66.62 -43.04 49.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.6 Cg_endo -74.94 3.02 5.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.462 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 80.0 m-85 -136.56 38.03 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 18.3 mm -83.59 149.24 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -113.88 116.79 29.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.0 p -116.47 173.39 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.835 ' CD1' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -71.11 -54.03 12.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -40.48 -30.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' LEU . 2.1 m-80 -129.0 51.4 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 26' ' ' LEU . 11.1 tp -77.61 -35.84 52.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -74.06 -15.43 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -107.35 -8.86 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.988 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.9 128.18 34.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.756 ' N ' HD22 ' A' ' 29' ' ' LEU . 13.9 t70 -89.1 94.01 9.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.764 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.4 p -51.85 -34.92 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -63.22 -14.56 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -69.51 -47.65 63.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.618 ' CE2' HD21 ' A' ' 62' ' ' LEU . 55.2 m-85 -46.99 122.24 4.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -92.8 1.89 57.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -46.08 168.22 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.03 159.22 41.5 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.87 -0.08 22.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -126.71 18.87 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.474 HD22 ' HB1' ' A' ' 36' ' ' ALA . 36.9 tp -39.4 -52.39 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' ' CA ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -109.61 66.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -73.72 128.31 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.53 41.81 49.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.9 m -118.4 118.29 31.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 71' ' ' PHE . 38.9 mtm-85 -97.56 109.75 22.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 80' ' ' HIS . 2.4 mt -113.49 154.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.785 ' CE2' HD12 ' A' ' 74' ' ' LEU . 4.5 t80 -119.04 119.04 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.896 HD22 HD23 ' A' ' 59' ' ' LEU . 68.4 mt -84.72 129.6 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.77 140.98 34.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 108.292 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.8 40.49 57.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.528 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 27.7 m-85 -139.3 132.79 30.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.0 p -160.03 139.74 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.79 -118.37 5.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -52.43 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -41.52 -55.98 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' ASP . 8.3 tp -60.12 -61.2 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -39.67 -46.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' HD12 ' A' ' 62' ' ' LEU . 67.5 mmtt -56.63 -68.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.896 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.01 -43.32 19.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -54.32 -36.26 63.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -81.14 -34.87 32.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.225 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.764 ' HG ' HG23 ' A' ' 31' ' ' VAL . 2.5 mp -63.05 -68.58 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.441 HG13 HD21 ' A' ' 109' ' ' LEU . 5.4 mt -38.77 -55.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -59.18 -44.65 92.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 45.1 t -60.29 -21.65 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -101.56 -13.1 33.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.6 -12.1 67.88 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -53.42 155.0 6.54 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t -100.57 109.4 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -75.78 101.1 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CZ ' ' HD2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -78.06 123.58 27.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -76.34 -14.6 60.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -132.64 172.33 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.785 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -107.98 168.95 8.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.54 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.6 OUTLIER 166.22 -174.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -73.4 -3.25 26.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -43.82 15.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG11 HG22 ' A' ' 81' ' ' VAL . 78.4 t -45.55 131.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.55 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 72.7 p -105.42 -16.16 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.595 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 1.7 m80 -161.19 142.39 11.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.005 HG11 HD12 ' A' ' 90' ' ' LEU . 25.6 t -124.0 107.43 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.513 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.3 mm -75.75 102.46 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.587 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 72.8 t -95.34 114.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.16 -71.53 1.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -106.22 -34.75 7.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -176.26 164.33 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.45 ' HB3' HG22 ' A' ' 83' ' ' VAL . 5.0 p-10 -131.06 117.39 19.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -92.62 -56.64 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -42.32 -50.29 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.005 HD12 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -47.78 -60.45 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' LEU . 77.3 mttt -38.69 -41.42 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -46.8 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.535 ' CD2' HD22 ' A' ' 74' ' ' LEU . 49.5 t80 -60.3 -23.41 64.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.591 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 6.2 m0 -74.01 -12.99 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 108.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -117.05 11.3 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -107.78 -77.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.8 m -105.39 158.12 16.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.2 97.34 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -162.68 152.75 16.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.611 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.11 90.79 50.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.663 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.99 139.72 24.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.595 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 81.0 m-70 -62.54 99.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.447 HG13 ' H ' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -88.68 121.26 38.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 124' ' ' TYR . 26.8 m -147.29 175.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.35 150.06 18.0 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.835 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -42.04 -36.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 110' ' ' LEU . 8.1 tttt -41.51 -45.6 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.599 ' CZ3' ' OE2' ' A' ' 121' ' ' GLU . 58.1 t90 -55.11 -68.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.441 HD21 HG13 ' A' ' 63' ' ' ILE . 12.7 tp -39.77 -51.11 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 107' ' ' LYS . 74.8 mt -49.27 -56.45 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.7 mm-40 -60.55 -35.89 77.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.572 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 30.8 m -58.04 -58.77 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.524 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 35.8 m-85 -67.43 -33.54 75.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.4 t -65.63 -43.32 89.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.775 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.1 mmtt -79.86 -19.66 47.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.412 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 89.0 -13.06 64.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.865 ' CE2' HD23 ' A' ' 119' ' ' LEU . 21.3 p90 -136.58 138.04 40.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 85.3 mtp -54.07 134.52 43.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.865 HD23 ' CE2' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -106.88 176.6 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.462 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 60.6 m -60.52 141.73 56.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.599 ' OE2' ' CZ3' ' A' ' 108' ' ' TRP . 2.6 mt-10 -96.06 -12.68 24.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 23.5 mt-10 -67.36 -44.24 45.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.96 2.1 6.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.515 ' O ' HG12 ' A' ' 104' ' ' VAL . 76.2 m-85 -137.03 37.54 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 11.3 mm -78.52 135.92 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.587 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 5.7 t60 -99.02 107.02 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.644 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.8 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -109.05 164.07 12.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.908 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -59.64 -54.47 46.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.5 -52.92 33.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -88.93 54.39 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.954 HD12 HD23 ' A' ' 29' ' ' LEU . 29.2 tp -97.2 -27.55 14.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -77.61 -44.34 28.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -81.11 -10.26 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.954 HD23 HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -65.88 141.92 58.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 18.6 t0 -103.38 94.11 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.783 HG23 ' HG ' ' A' ' 62' ' ' LEU . 1.5 p -55.68 -34.76 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -10.53 35.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.28 -47.81 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 29' ' ' LEU . 63.7 m-85 -50.09 130.28 22.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -98.67 10.16 41.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -49.98 169.78 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.07 166.0 30.03 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -83.39 3.01 33.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -134.46 23.21 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.832 HD13 ' O ' ' A' ' 116' ' ' GLY . 44.1 tp -38.93 -67.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -87.78 54.88 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.44 117.86 14.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.51 77.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.0 m -125.98 105.53 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.473 ' HA ' HG12 ' A' ' 69' ' ' VAL . 73.1 mtm180 -89.43 112.07 23.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.591 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.6 mp -103.72 163.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.731 ' HD2' HG13 ' A' ' 81' ' ' VAL . 55.4 t80 -126.26 113.96 17.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.876 HD22 HD23 ' A' ' 59' ' ' LEU . 67.8 mt -82.22 130.16 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -147.38 108.72 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.248 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.64 52.95 1.08 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.456 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 44.7 m-85 -151.08 132.15 14.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.2 t -163.42 148.58 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.964 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.48 -102.5 2.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.74 -54.64 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -40.55 -46.11 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 51' ' ' PHE . 3.4 tp -67.01 -63.07 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -38.41 -36.21 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 44.4 mmtt -64.24 -67.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.876 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -46.04 -34.99 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.464 ' HG2' ' CD ' ' A' ' 70' ' ' ARG . 3.4 mtt-85 -62.17 -43.59 98.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -76.73 -38.21 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.783 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -63.07 -67.25 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.532 HG21 ' O ' ' A' ' 69' ' ' VAL . 28.2 mt -39.64 -54.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -57.62 -43.52 84.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' LEU . 12.7 t -60.16 -23.04 63.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -104.1 -6.52 42.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.22 -9.57 66.43 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -56.49 171.85 2.18 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.532 ' O ' HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -101.77 169.35 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.694 ' HG3' HD12 ' A' ' 48' ' ' LEU . 49.0 ttp85 -136.72 85.16 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.476 ' CE1' HG11 ' A' ' 69' ' ' VAL . 3.2 m-85 -82.66 157.4 23.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -120.66 -0.32 10.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -127.2 146.38 50.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.646 HD22 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -87.57 122.91 31.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.423 ' ND2' HG23 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -147.01 -173.39 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -80.82 -27.26 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -33.51 72.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.423 HG23 ' ND2' ' A' ' 75' ' ' ASN . 65.4 t -55.33 124.24 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.476 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 52.6 p -103.05 -11.21 18.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.41 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.591 ' HB2' HG23 ' A' ' 46' ' ' ILE . 38.1 m80 -155.12 152.62 29.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.731 HG13 ' HD2' ' A' ' 47' ' ' TYR . 54.3 t -134.2 104.84 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.506 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.1 mm -85.12 109.45 18.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.649 ' CG2' HG13 ' A' ' 103' ' ' VAL . 19.5 t -98.08 121.23 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -88.54 -42.98 5.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.29 -44.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -167.59 173.38 8.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -142.47 106.82 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.61 -49.34 5.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.0 OUTLIER -41.89 -52.97 3.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.725 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -40.95 -58.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LEU . 50.7 mttt -39.38 -39.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -73.52 -45.87 51.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' LEU . 40.6 t80 -62.28 -29.12 70.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.492 ' CH2' HD22 ' A' ' 90' ' ' LEU . 2.6 m0 -72.21 -17.95 61.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -102.89 7.69 39.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -111.59 -82.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 m -97.41 157.8 15.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.54 98.53 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -159.41 150.2 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.613 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -120.06 91.05 45.29 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.03 39.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.49 ' CG ' ' OE1' ' A' ' 121' ' ' GLU . 16.4 m-70 -85.05 102.03 12.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.643 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.649 HG13 ' CG2' ' A' ' 83' ' ' VAL . 93.7 t -90.98 110.65 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 124' ' ' TYR . 28.5 m -138.54 172.98 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.48 151.86 19.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.908 ' HB3' HD22 ' A' ' 23' ' ' LEU . . . -42.09 -38.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 106' ' ' ALA . 12.3 tttt -39.78 -33.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.456 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 62.2 t90 -67.03 -69.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 41' ' ' LEU . 15.5 tp -41.0 -48.83 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.629 HD22 HD21 ' A' ' 29' ' ' LEU . 74.8 mt -50.18 -62.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 3.6 mm-40 -52.17 -42.69 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.456 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 74.7 m -52.46 -56.08 17.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.75 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -67.69 -5.42 15.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.534 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.22 -42.9 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -85.29 -26.32 26.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.832 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 106.68 -18.65 37.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -128.55 168.73 15.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 26.6 mtp -73.02 144.54 47.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.596 HD21 ' HD3' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -112.36 177.31 4.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.469 ' HB2' ' CG ' ' A' ' 123' ' ' PRO . 72.4 m -67.68 150.29 48.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.49 ' OE1' ' CG ' ' A' ' 102' ' ' HIS . 3.4 mt-10 -95.72 -31.32 13.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 19.5 mt-10 -50.97 -45.79 87.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -74.99 2.39 6.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.682 ' O ' HG12 ' A' ' 104' ' ' VAL . 55.3 m-85 -141.12 44.71 1.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 29.4 mm -87.11 145.66 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -105.64 109.82 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.04 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.724 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.566 ' HG1' ' CG ' ' A' ' 25' ' ' ASN . 82.0 p -109.24 159.62 16.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -58.01 -53.09 62.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -38.62 -34.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.566 ' CG ' ' HG1' ' A' ' 22' ' ' THR . 4.4 p30 -122.98 50.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.575 ' HB2' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.09 -34.39 56.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 23.8 mt-10 -73.02 -29.61 63.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.01 18.87 21.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 21' ' ' PRO . 9.3 tp -78.79 161.42 26.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.575 ' H ' HD12 ' A' ' 29' ' ' LEU . 22.4 t0 -125.37 87.92 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.947 HG23 ' HG ' ' A' ' 62' ' ' LEU . 6.5 p -54.72 -27.75 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.39 -0.61 20.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -83.96 -45.19 13.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.805 ' CE2' HD21 ' A' ' 62' ' ' LEU . 58.9 m-85 -53.78 131.72 40.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 36' ' ' ALA . 8.6 mm-40 -100.81 0.36 38.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.62 168.05 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.96 159.81 41.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -74.63 -11.24 60.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -115.36 20.51 14.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 116' ' ' GLY . 47.9 tp -39.58 -55.64 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' HB2' ' CA ' ' A' ' 68' ' ' GLY . 0.1 OUTLIER -105.19 51.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.43 129.47 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.41 41.66 48.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.0 m -115.1 120.78 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -103.06 102.55 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.477 ' CG2' HG12 ' A' ' 82' ' ' ILE . 3.7 mt -108.02 157.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.588 ' HD1' HG13 ' A' ' 81' ' ' VAL . 16.5 t80 -123.89 124.01 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.812 HD23 ' HB ' ' A' ' 82' ' ' ILE . 85.9 mt -88.57 145.5 25.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' CB ' ' OD2' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -164.11 149.25 10.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.36 59.71 8.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.571 1.17 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.507 ' CE2' HD23 ' A' ' 59' ' ' LEU . 18.7 m-85 -147.67 -84.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER 52.49 102.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.72 -152.3 16.88 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' CD ' ' HB3' ' A' ' 27' ' ' GLU . 58.7 mtt180 -48.09 -60.08 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.304 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 26' ' ' LEU . 16.1 mttt -42.62 -44.25 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.549 HD12 HD13 ' A' ' 48' ' ' LEU . 53.9 tp -66.85 -69.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 56' ' ' LEU . 19.2 t70 -37.8 -47.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -47.95 -64.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.788 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -50.77 -45.76 59.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -52.82 -39.04 62.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -79.8 -35.68 38.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.947 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -65.57 -67.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.8 HG13 HD21 ' A' ' 109' ' ' LEU . 13.7 mt -40.85 -54.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.55 -41.92 86.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' LEU . 32.5 t -64.46 -15.62 61.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.447 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -109.05 -1.88 31.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.88 -12.29 53.73 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.415 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -54.25 159.88 4.86 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 71' ' ' PHE . 7.2 t -107.09 110.53 32.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.776 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.449 ' HD2' HD12 ' A' ' 48' ' ' LEU . 1.3 ttp180 -82.93 96.45 8.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.458 ' CD1' HG12 ' A' ' 69' ' ' VAL . 1.3 m-30 -75.3 149.25 38.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -114.63 -3.87 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -118.82 144.32 46.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.649 HD12 ' CG ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -88.69 117.82 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.76 164.16 38.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.35 -18.43 17.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -41.14 98.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.572 HG11 HG22 ' A' ' 81' ' ' VAL . 74.4 t -51.66 132.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.571 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 43.9 p -105.22 -17.38 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.608 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 0.5 OUTLIER -161.82 142.94 10.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.648 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.675 HG23 ' HB2' ' A' ' 101' ' ' PRO . 42.7 t -120.7 106.89 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.812 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.7 mm -75.26 101.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.579 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 60.5 t -98.41 125.99 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.77 -52.9 2.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -120.38 -43.94 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -174.88 154.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.502 ' OD2' ' CB ' ' A' ' 49' ' ' CYS . 4.2 t0 -120.9 112.31 18.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.436 ' OD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.5 m-20 -75.26 -56.9 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -56.98 5.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -40.27 -61.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -41.14 -47.69 3.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -69.44 -52.32 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.649 ' CG ' HD12 ' A' ' 74' ' ' LEU . 45.5 t80 -55.05 -25.86 33.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -72.39 -12.32 61.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -117.65 12.42 14.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -111.26 -76.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.8 m -97.72 157.75 15.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.66 98.29 10.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -165.48 157.88 15.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.586 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -126.47 90.25 50.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.675 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 139.57 24.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.608 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 82.4 m-70 -61.74 99.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.585 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -89.49 116.8 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 121' ' ' GLU . 35.3 m -144.59 176.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.6 149.6 17.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.103 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.928 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -41.73 -37.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.595 ' H ' HD23 ' A' ' 23' ' ' LEU . 11.4 tttt -39.5 -46.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.598 ' CH2' ' OE2' ' A' ' 121' ' ' GLU . 53.2 t90 -54.19 -66.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 107.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.8 HD21 HG13 ' A' ' 63' ' ' ILE . 8.2 tp -39.97 -53.72 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' SER . 30.6 mt -46.92 -60.38 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.4 mm-40 -55.1 -38.09 67.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.58 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 57.0 m -59.26 -58.27 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.27 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.555 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.6 m-85 -67.36 -24.28 65.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 110' ' ' LEU . 18.5 t -76.4 -39.65 53.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.847 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.7 mmtt -82.18 -25.45 34.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.493 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 97.83 -14.17 63.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.705 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 3.7 p90 -138.63 140.26 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 70.3 mtp -52.83 137.33 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.847 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.7 mt -110.5 175.1 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.481 ' HB2' ' CG ' ' A' ' 123' ' ' PRO . 50.7 m -56.73 139.07 51.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.598 ' OE2' ' CH2' ' A' ' 108' ' ' TRP . 2.9 mt-10 -96.06 -10.05 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.631 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 15.0 mt-10 -70.39 -43.85 17.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.96 3.68 5.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.468 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 69.9 m-85 -137.05 33.24 2.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 5.7 mm -73.62 138.67 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.579 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 7.9 t60 -100.28 105.78 17.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.589 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.875 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.6 p -102.99 165.29 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.032 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -59.5 -57.6 12.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.43 -22.61 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -121.69 61.32 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.903 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -93.21 -46.26 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.29 -28.73 65.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -111.53 41.93 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.875 HD13 ' HA ' ' A' ' 21' ' ' PRO . 25.5 tp -100.31 154.8 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.527 ' H ' HD12 ' A' ' 29' ' ' LEU . 63.2 t0 -118.91 83.3 2.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.991 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -52.74 -23.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.03 20.5 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -105.8 -42.8 5.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.653 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 79.4 m-85 -55.26 121.01 7.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -79.22 -1.91 38.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -43.26 164.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 158.8 42.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.567 1.825 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.27 1.46 21.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.87 19.54 7.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 66' ' ' GLY . 45.9 tp -40.97 -59.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -100.91 63.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.14 123.36 25.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.32 37.54 87.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.9 m -123.64 109.72 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -88.62 126.01 35.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.626 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.3 mp -125.9 148.2 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.697 ' HB2' HG21 ' A' ' 78' ' ' VAL . 82.5 t80 -114.53 119.07 35.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' ' 59' ' ' LEU . 44.5 mt -82.11 121.88 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.805 ' SG ' HG13 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -128.6 148.87 50.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 59.29 37.95 92.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.854 ' O ' HD22 ' A' ' 56' ' ' LEU . 20.0 m-85 -137.48 119.21 15.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.98 -66.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.13 -170.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -38.85 -36.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.903 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.5 mttt -41.73 -50.79 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.854 HD22 ' O ' ' A' ' 51' ' ' PHE . 10.6 tp -64.79 -59.88 3.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' LEU . 12.6 t70 -39.17 -51.1 1.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -51.01 -70.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.727 ' HB3' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -40.49 -58.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -39.58 -44.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HB3' HG11 ' A' ' 31' ' ' VAL . 40.9 mtt-85 -73.7 -43.13 60.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.991 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.4 mp -59.56 -67.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 62' ' ' LEU . 36.8 mt -38.33 -56.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -44.89 87.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' LEU . 40.5 t -59.37 -31.78 69.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -83.65 -19.78 61.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.67 -13.02 58.07 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.401 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -64.68 161.52 39.49 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 t -107.8 121.87 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -89.56 108.94 19.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.633 ' CZ ' ' CB ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -85.86 115.46 23.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 72' ' ' ASN . 8.6 p-10 -73.67 -8.63 56.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -128.8 138.29 51.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.831 HD21 HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -76.28 120.64 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -150.47 -174.0 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 17.6 mt-10 -82.73 8.47 12.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.633 ' CB ' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -88.09 -47.91 8.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.697 HG21 ' HB2' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -62.04 137.96 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.496 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 69.7 p -111.31 -11.23 14.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.626 ' HB2' HG23 ' A' ' 46' ' ' ILE . 2.0 m80 -138.63 147.68 43.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.805 HG13 ' SG ' ' A' ' 49' ' ' CYS . 24.4 t -128.93 94.3 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.458 HG13 HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -76.82 99.99 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.51 ' CG2' HG13 ' A' ' 103' ' ' VAL . 56.8 t -91.43 127.08 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.46 -52.54 1.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.88 -49.93 3.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.412 ' C ' HG13 ' A' ' 83' ' ' VAL . 7.4 p90 -171.64 170.31 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -122.16 83.38 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -94.33 -27.54 16.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -82.69 -51.74 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.831 HD23 HD21 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -51.46 -21.32 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -72.15 -36.55 69.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.76 -42.43 95.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CD2' HD12 ' A' ' 74' ' ' LEU . 36.7 t80 -61.71 -20.37 63.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.708 ' CH2' HD11 ' A' ' 90' ' ' LEU . 4.9 m0 -76.9 -3.86 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.05 11.36 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -118.62 -79.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.547 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 58.7 m -96.52 158.54 15.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.21 98.65 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.428 ' NE2' ' O ' ' A' ' 78' ' ' VAL . 23.4 t60 -161.13 144.97 13.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.27 89.15 53.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.424 ' HB3' ' HE2' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -74.98 168.32 25.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -85.69 101.5 12.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.559 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.51 HG13 ' CG2' ' A' ' 83' ' ' VAL . 54.1 t -85.52 95.6 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.586 HG11 ' HB3' ' A' ' 121' ' ' GLU . 26.7 m -125.52 178.0 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.04 148.14 17.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 1.032 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -41.43 -37.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.539 ' N ' HD23 ' A' ' 23' ' ' LEU . 10.1 tttm -39.81 -46.79 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 57.1 t90 -54.73 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 41' ' ' LEU . 21.2 tp -39.51 -58.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 70.6 mt -41.61 -55.21 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.475 ' HB2' HD12 ' A' ' 119' ' ' LEU . 2.0 mm-40 -59.98 -35.68 75.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.511 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 46.9 m -58.71 -52.94 63.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.74 ' CD2' HD23 ' A' ' 62' ' ' LEU . 35.0 m-85 -71.67 -25.75 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.0 t -73.82 -47.45 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.78 ' HG3' HD11 ' A' ' 119' ' ' LEU . 3.7 mmtt -74.52 -20.98 59.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.41 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 94.84 -13.34 67.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.554 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 10.3 p90 -137.43 166.39 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.5 mtp -73.66 135.65 43.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.78 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.4 mt -109.03 176.73 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.2 m -63.9 145.04 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.586 ' HB3' HG11 ' A' ' 104' ' ' VAL . 5.5 mp0 -96.51 -22.12 17.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 33.1 mt-10 -56.81 -43.7 99.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.2 5.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.511 ' O ' HG12 ' A' ' 104' ' ' VAL . 88.6 m-85 -139.19 41.71 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 25.8 mm -87.48 141.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -104.78 106.87 17.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.034 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HB3' HD23 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 71.1 p -122.56 156.59 33.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.936 ' HG ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -54.89 -44.95 74.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -54.88 -18.04 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' ND2' ' OG1' ' A' ' 22' ' ' THR . 31.2 m-20 -131.57 26.22 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.936 HD12 ' HG ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -55.48 -46.56 76.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 24.8 mt-10 -58.45 -37.2 74.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -111.26 42.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -104.86 121.99 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.792 ' N ' HD22 ' A' ' 29' ' ' LEU . 33.0 t0 -73.69 89.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.96 HG23 ' HG ' ' A' ' 62' ' ' LEU . 3.8 p -62.17 -16.53 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.25 -8.99 58.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.465 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -73.89 -48.22 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 1.007 ' CE2' HD21 ' A' ' 62' ' ' LEU . 70.8 m-85 -46.26 119.96 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ALA . 12.6 mm-40 -92.07 0.4 57.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.22 169.2 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.04 162.9 36.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.23 -0.75 29.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -128.73 23.9 5.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 116' ' ' GLY . 35.7 tp -40.6 -64.89 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.65 HD21 ' CD2' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -89.98 54.93 2.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.34 120.02 18.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.83 32.84 70.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.6 m -129.1 105.02 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.484 ' HA ' HG12 ' A' ' 69' ' ' VAL . 29.9 mtm180 -89.41 108.98 19.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.608 HG21 HG13 ' A' ' 82' ' ' ILE . 1.7 mp -99.71 160.73 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.816 ' CE2' HD22 ' A' ' 74' ' ' LEU . 40.7 t80 -130.43 123.39 29.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.65 ' CD2' HD13 ' A' ' 59' ' ' LEU . 95.4 mt -84.99 133.02 34.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -147.4 110.22 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.272 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . 122.29 -68.83 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.537 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 33.0 m-85 -37.13 134.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.79 84.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.56 -100.05 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.461 ' CD ' ' HB3' ' A' ' 27' ' ' GLU . 78.8 mtt180 -97.11 -57.35 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.259 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.656 ' HA ' HD22 ' A' ' 26' ' ' LEU . 1.5 mttt -41.7 -36.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.614 ' CD1' HD13 ' A' ' 48' ' ' LEU . 24.7 tp -71.01 -70.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -38.27 -35.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 70.4 mmtt -63.86 -64.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.65 HD13 ' CD2' ' A' ' 48' ' ' LEU . 18.2 mt -45.79 -39.57 8.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 23.5 mtp180 -52.7 -34.87 54.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -85.8 -36.46 20.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.007 HD21 ' CE2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -68.25 -67.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.763 HG21 ' O ' ' A' ' 69' ' ' VAL . 21.8 mt -43.01 -50.88 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -61.25 -45.47 94.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 t -56.83 -36.32 69.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -84.42 -2.52 89.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.61 -13.52 51.85 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.425 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -57.6 171.06 3.45 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.763 ' O ' HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -100.21 167.75 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.52 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -137.5 87.58 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.436 ' HD1' HG13 ' A' ' 69' ' ' VAL . 4.3 m-85 -82.82 158.23 22.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.06 -7.64 11.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.48 ' C ' ' CE1' ' A' ' 47' ' ' TYR . 34.2 mt-30 -123.07 149.47 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.816 HD22 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.15 114.74 25.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.536 ' ND2' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -138.89 -174.87 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.01 -33.95 44.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.69 -19.13 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.536 HG23 ' ND2' ' A' ' 75' ' ' ASN . 60.2 t -67.9 132.33 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.543 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.5 p -112.99 -9.23 13.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 79' ' ' THR . 35.3 m80 -159.26 143.43 15.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.629 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.636 HG11 HD12 ' A' ' 90' ' ' LEU . 40.7 t -125.39 97.56 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.659 HD13 HG23 ' A' ' 104' ' ' VAL . 2.9 mm -82.3 102.95 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.499 ' CG2' HG13 ' A' ' 103' ' ' VAL . 19.9 t -87.5 150.81 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -116.2 -31.79 1.8 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.25 -56.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -163.81 163.97 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -119.38 83.71 2.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -93.64 -24.85 17.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' GLN . 3.4 tp10 -74.68 -42.52 58.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.664 ' CD2' ' CZ2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -45.34 -42.78 10.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -49.83 -38.01 33.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' GLU . 2.2 mm-40 -65.44 -43.78 89.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 18.5 t80 -65.23 -26.59 68.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.664 ' CZ2' ' CD2' ' A' ' 90' ' ' LEU . 9.7 m0 -77.17 -13.46 59.94 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -101.59 4.25 40.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -115.4 -75.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 64.1 m -102.55 158.02 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.68 99.07 10.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -160.76 144.08 13.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.601 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.83 90.23 31.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 166.57 28.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -87.86 101.91 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.499 HG13 ' CG2' ' A' ' 83' ' ' VAL . 29.0 t -87.47 94.59 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.659 HG23 HD13 ' A' ' 82' ' ' ILE . 27.2 m -123.73 177.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 107' ' ' LYS . . . -104.09 149.07 17.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.789 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -41.36 -31.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.515 ' N ' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -41.66 -47.03 3.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 42.0 t90 -57.78 -63.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.671 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -39.74 -53.91 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.524 HD23 HD22 ' A' ' 62' ' ' LEU . 30.3 mt -48.91 -64.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.0 mm-40 -47.69 -40.04 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.23 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 33.6 m -57.66 -48.67 78.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.671 ' CE2' HD22 ' A' ' 109' ' ' LEU . 31.0 m-85 -72.88 -33.96 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -68.92 -38.45 79.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.745 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.2 mmtt -82.55 -25.66 33.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 96.49 -13.23 65.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.749 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.4 p90 -138.6 152.22 47.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 89.1 mtp -61.74 140.75 58.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.749 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -115.89 177.46 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.46 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 44.9 m -64.17 145.6 55.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.571 ' HB3' HG11 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -95.44 -10.05 30.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.656 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 30.7 mt-10 -65.43 -42.3 56.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.0 3.01 6.0 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.632 ' O ' HG12 ' A' ' 104' ' ' VAL . 98.7 m-85 -142.73 48.02 1.54 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 30.2 mm -90.73 142.92 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.472 ' HB3' HG12 ' A' ' 103' ' ' VAL . 51.1 t60 -105.58 107.64 18.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.594 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.997 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.647 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 p -102.6 -176.3 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.844 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -78.93 -48.15 15.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.72 1.26 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' ASN . 3.9 t30 -115.04 -7.04 12.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' A' ' 29' ' ' LEU . 2.0 mt -39.63 -40.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.88 -47.59 74.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ASN . 11.3 m-20 -94.52 34.46 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 21' ' ' PRO . 15.1 tp -102.92 156.14 17.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.877 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 40.8 t0 -118.6 105.45 11.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.984 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -73.8 -22.93 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.45 20.02 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.049 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.877 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -106.86 -43.18 4.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 93.4 m-85 -50.3 128.65 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 35.6 tp60 -84.76 -10.33 57.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HB2' ' HA2' ' A' ' 116' ' ' GLY . . . -41.35 162.9 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.0 159.1 41.75 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 65' ' ' SER . 12.3 mt-10 -74.11 -11.38 60.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.32 23.47 13.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.508 HD22 ' HB1' ' A' ' 36' ' ' ALA . 25.7 tp -43.29 -63.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.727 HD11 HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -100.78 44.96 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -46.56 128.48 10.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.61 42.74 20.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 72.7 m -113.31 112.78 24.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.569 ' HG2' ' CE1' ' A' ' 71' ' ' PHE . 9.2 mtm-85 -93.81 105.45 17.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.563 HG21 ' CG1' ' A' ' 82' ' ' ILE . 4.0 mt -108.98 148.92 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.824 ' CD1' HG13 ' A' ' 81' ' ' VAL . 3.1 t80 -110.9 130.57 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.953 ' CD2' HD13 ' A' ' 59' ' ' LEU . 66.7 mt -90.97 138.19 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' CG ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -148.58 106.12 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 108.289 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 100.9 55.94 0.91 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 44.3 m-85 -156.75 131.16 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.0 p -140.38 -57.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.69 -137.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -64.42 -39.22 93.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -40.51 -44.79 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 51' ' ' PHE . 3.4 tp -68.89 -69.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -39.22 -40.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 11.5 mmtt -59.79 -68.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.953 HD13 ' CD2' ' A' ' 48' ' ' LEU . 52.2 mt -48.44 -39.28 22.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -56.44 -31.88 64.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' CB ' ' A' ' 65' ' ' SER . 94.6 mtt180 -94.27 -34.08 12.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.984 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -67.64 -61.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' A' ' 59' ' ' LEU . 3.5 mt -48.44 -47.76 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -43.26 80.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 13.3 t -50.26 -41.41 50.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -81.79 6.1 67.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.6 -10.05 57.07 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.87 165.69 11.14 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.4 t -118.06 112.33 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.634 ' HD2' HD12 ' A' ' 48' ' ' LEU . 3.7 ttp180 -76.56 122.26 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -103.26 111.09 23.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.946 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -69.11 -18.2 63.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -120.83 162.45 19.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -110.56 159.71 17.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER 163.19 -175.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.75 86.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 173.54 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.666 HG11 HG22 ' A' ' 81' ' ' VAL . 77.4 t -56.12 126.15 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.578 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 50.6 p -98.82 -17.65 18.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -162.29 143.96 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.824 HG13 ' CD1' ' A' ' 47' ' ' TYR . 26.2 t -122.01 103.6 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.563 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.4 mm -74.28 99.72 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 90.8 t -93.69 134.94 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.72 -55.85 1.6 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 5.2 m-20 -117.3 -47.74 2.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 14.7 p90 -163.49 179.09 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.415 ' CG ' ' SG ' ' A' ' 49' ' ' CYS . 7.8 t0 -150.82 115.66 5.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.55 -41.23 11.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.3 tt0 -52.63 -55.9 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.681 HD12 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -40.7 -62.8 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' LEU . 32.4 mttm -38.32 -42.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.8 mm-40 -71.26 -47.53 56.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.543 ' CD2' HD22 ' A' ' 74' ' ' LEU . 59.8 t80 -60.11 -20.11 56.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.579 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 6.5 m0 -78.73 -15.76 58.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -116.51 11.81 14.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.01 -75.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.1 m -104.9 157.94 16.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.78 97.14 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -172.4 151.13 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.87 96.17 38.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.74 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 141.15 26.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.586 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 88.3 m-70 -62.85 100.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.577 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -88.67 113.78 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 121' ' ' GLU . 27.4 m -143.59 179.42 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -105.76 147.08 16.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.558 1.161 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.844 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.31 -34.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -43.28 -46.86 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.58 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 38.1 t90 -53.88 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.727 HD11 HD11 ' A' ' 41' ' ' LEU . 16.6 tp -40.23 -55.11 2.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.6 mt -45.96 -52.27 11.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.449 ' HB2' HD12 ' A' ' 119' ' ' LEU . 3.4 mm-40 -62.14 -34.13 75.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.56 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 56.1 m -59.4 -57.64 12.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.518 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 49.5 m-85 -68.56 -35.09 76.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 t -59.84 -45.96 90.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.751 ' HG3' HD11 ' A' ' 119' ' ' LEU . 1.6 mmtt -79.34 -25.34 42.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.532 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . 100.78 -15.79 58.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.609 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 14.0 p90 -132.32 159.49 39.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 92.3 mtp -71.03 130.16 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.751 HD11 ' HG3' ' A' ' 115' ' ' LYS . 2.4 mt -102.36 176.08 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 19.7 m -64.42 144.06 57.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.582 ' HB3' HG11 ' A' ' 104' ' ' VAL . 2.3 mp0 -95.46 -20.49 19.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.617 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 18.1 mt-10 -57.09 -45.01 99.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.236 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.01 2.77 6.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.545 ' O ' HG12 ' A' ' 104' ' ' VAL . 75.3 m-85 -138.76 38.92 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.488 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 16.1 mm -81.35 139.57 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.573 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 8.0 t60 -102.97 106.69 17.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.019 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.2 p -104.72 172.97 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.979 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -77.58 -58.58 3.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.84 -22.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -125.77 39.88 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.558 HD13 HD21 ' A' ' 110' ' ' LEU . 3.6 tp -85.31 -26.65 26.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.39 -27.09 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -119.08 22.21 11.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.845 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.79 115.09 16.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.728 ' N ' HD22 ' A' ' 29' ' ' LEU . 62.7 t0 -66.24 82.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.866 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.5 p -53.85 -32.24 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -6.91 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -76.01 -46.1 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.707 ' CE2' HD21 ' A' ' 29' ' ' LEU . 65.7 m-85 -52.34 123.23 10.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -92.79 5.34 51.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.621 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.46 168.32 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.621 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.01 166.01 30.09 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 65' ' ' SER . 2.7 mt-10 -82.08 4.31 23.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -133.97 21.03 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 116' ' ' GLY . 51.8 tp -40.26 -66.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -93.87 48.95 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.95 129.02 40.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.47 41.31 48.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.7 m -123.65 104.34 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -86.63 117.4 25.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.539 HG21 ' CG1' ' A' ' 82' ' ' ILE . 2.3 mt -115.25 157.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.748 ' CD2' HD22 ' A' ' 74' ' ' LEU . 72.6 t80 -115.12 129.0 56.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.892 ' CD2' HD13 ' A' ' 59' ' ' LEU . 95.2 mt -93.03 119.18 32.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.8 t -132.02 120.67 22.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.93 36.46 7.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 20.9 m-85 -138.46 127.75 24.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 p -144.02 -48.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.37 -136.81 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -35.88 81.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 51' ' ' PHE . 2.6 mttt -44.56 -50.44 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.64 ' CD1' HD13 ' A' ' 48' ' ' LEU . 3.5 tp -63.91 -68.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.7 t70 -40.2 -42.14 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' ARG . 67.3 mmtt -59.55 -70.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.892 HD13 ' CD2' ' A' ' 48' ' ' LEU . 21.1 mt -44.91 -47.92 11.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.406 ' HA ' ' CD ' ' A' ' 70' ' ' ARG . 47.0 mtp180 -46.31 -28.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' LYS . 77.9 mtt180 -89.2 -30.4 18.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.893 HD23 ' CD2' ' A' ' 113' ' ' PHE . 1.0 OUTLIER -76.04 -68.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.819 HD11 HD21 ' A' ' 48' ' ' LEU . 5.3 mt -42.93 -36.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -78.06 -45.81 22.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 14.0 t -57.19 -38.56 73.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -79.89 -2.49 88.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.93 -10.74 59.47 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.64 164.7 34.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 t -116.96 117.79 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.682 ' HB3' HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -89.48 127.0 35.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE2' ' HB2' ' A' ' 77' ' ' ASP . 1.9 m-85 -97.73 125.38 42.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -75.18 -20.91 59.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -125.45 141.68 51.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -71.4 128.32 35.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -153.23 179.45 8.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' CD ' ' HG ' ' A' ' 97' ' ' SER . 23.4 mt-10 -81.01 7.55 10.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 14.4 m-20 -89.36 -45.6 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -62.45 140.04 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 77.3 p -106.34 -18.21 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.511 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.3 m80 -140.56 146.43 38.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 47' ' ' TYR . 25.1 t -120.35 116.62 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.539 ' CG1' HG21 ' A' ' 46' ' ' ILE . 2.5 mm -95.69 105.39 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.537 ' CG2' HG13 ' A' ' 103' ' ' VAL . 23.3 t -83.76 133.41 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.75 -24.82 6.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.558 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 7.9 t0 -144.01 -48.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 12.0 p90 -164.16 140.29 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 4.7 p-10 -93.36 80.31 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 91' ' ' LYS . 6.1 m-20 -93.27 -53.29 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -38.35 -46.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.684 HD22 ' CZ2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -47.11 -50.74 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' ASP . 80.6 mttt -41.4 -37.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -44.6 60.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LEU . 42.6 t80 -67.36 -17.4 64.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.684 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 5.2 m0 -83.2 -21.85 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.53 5.73 50.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -113.47 -87.74 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.418 ' HG ' ' CD ' ' A' ' 76' ' ' GLU . 58.0 m -95.36 158.65 15.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.29 98.36 10.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -162.08 139.21 8.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 95.09 47.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.435 ' HD2' HD21 ' A' ' 90' ' ' LEU . 18.2 Cg_endo -74.98 167.1 27.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -82.76 102.18 11.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.554 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.537 HG13 ' CG2' ' A' ' 83' ' ' VAL . 35.8 t -87.02 107.92 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.695 HG11 ' HB3' ' A' ' 121' ' ' GLU . 35.4 m -137.87 178.65 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.67 145.37 16.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.979 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.22 -33.48 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.765 ' H ' HD23 ' A' ' 23' ' ' LEU . 10.5 tttt -43.37 -46.47 6.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.53 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 30.2 t90 -53.65 -64.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.029 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 41' ' ' LEU . 17.4 tp -45.54 -55.15 6.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.558 HD21 HD13 ' A' ' 26' ' ' LEU . 89.3 mt -42.64 -60.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.3 mm-40 -53.18 -44.49 67.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 63.6 m -51.61 -54.94 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.893 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -67.86 -6.03 19.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.517 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.86 -41.95 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -87.04 -25.8 24.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.632 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 98.11 -9.06 63.26 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.733 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.2 p90 -132.82 142.49 49.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 73.8 mtp -57.85 142.73 44.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.733 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.3 OUTLIER -114.88 176.36 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.45 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 71.1 m -63.62 142.58 58.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.695 ' HB3' HG11 ' A' ' 104' ' ' VAL . 3.0 mt-10 -96.08 -11.92 25.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.5 mt-10 -65.94 -43.73 59.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -75.03 3.01 6.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.53 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 74.4 m-85 -135.27 35.55 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 15.9 mm -81.04 143.05 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -112.23 107.68 16.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 10.4 p -127.14 158.88 35.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.141 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -51.25 -63.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.3 -51.45 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.433 ' ND2' ' OG1' ' A' ' 22' ' ' THR . 1.6 m-20 -93.38 60.96 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.508 HD12 HD23 ' A' ' 29' ' ' LEU . 16.3 tp -97.21 -31.8 12.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 64.1 mt-10 -75.37 -42.79 53.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -78.37 -14.28 59.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.735 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.9 tp -57.84 160.33 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.578 ' H ' HD12 ' A' ' 29' ' ' LEU . 34.8 t0 -120.29 89.98 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.962 HG23 ' HG ' ' A' ' 62' ' ' LEU . 5.4 p -53.65 -22.7 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.421 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -90.34 20.51 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.06 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -106.93 -43.33 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.735 ' CE2' HD11 ' A' ' 29' ' ' LEU . 93.4 m-85 -49.64 128.36 17.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -87.88 -5.92 58.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.548 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -43.62 165.38 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.538 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.98 153.33 41.79 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -69.24 -7.43 36.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -117.75 19.49 13.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.676 HD23 ' CD1' ' A' ' 113' ' ' PHE . 30.0 tp -39.91 -64.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -98.68 48.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.77 129.02 35.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.9 40.64 27.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.2 m -119.49 105.5 11.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.7 mtm-85 -86.67 117.95 25.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.6 mt -118.35 150.99 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.999 ' CD2' HD12 ' A' ' 74' ' ' LEU . 79.0 t80 -112.48 132.9 54.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.083 HD22 HD13 ' A' ' 59' ' ' LEU . 97.5 mt -96.64 114.76 26.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 3.0 t -121.42 116.69 25.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.409 ' CA ' ' OD2' ' A' ' 85' ' ' ASP . . . 91.62 45.05 4.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -140.58 142.07 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -150.56 -72.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.24 -161.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -39.03 -37.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HG2' ' CG ' ' A' ' 27' ' ' GLU . 3.7 mttt -44.56 -50.08 9.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ASP . 4.3 tp -63.03 -70.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.7 t70 -38.69 -52.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 29.5 mmtt -42.81 -61.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.083 HD13 HD22 ' A' ' 48' ' ' LEU . 38.9 mt -56.82 -50.02 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -45.83 -25.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -93.58 -34.81 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.99 HD23 ' CD2' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -70.35 -65.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.818 HD11 HD21 ' A' ' 48' ' ' LEU . 3.6 mt -44.2 -35.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -78.79 -45.05 21.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -48.45 69.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -71.99 -10.4 72.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.67 -20.62 48.68 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -50.52 160.15 1.46 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 t -112.92 109.96 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 6.0 ttp180 -78.0 119.49 21.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.695 ' CE2' ' CB ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER -96.74 116.51 29.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.58 -27.21 67.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -127.33 136.23 51.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.999 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -74.57 144.1 44.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.574 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 2.7 p-10 176.0 -174.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.429 ' N ' HD22 ' A' ' 75' ' ' ASN . 10.0 mt-10 -65.53 72.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.695 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 1.6 m-20 -165.83 -48.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -65.31 104.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 45' ' ' ARG . 71.3 p -74.58 -14.42 60.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.822 ' O ' HG23 ' A' ' 78' ' ' VAL . 6.8 m80 -145.5 140.55 27.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.575 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.955 HG11 ' CD2' ' A' ' 90' ' ' LEU . 79.6 t -112.49 127.27 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.597 HD13 HG23 ' A' ' 104' ' ' VAL . 4.7 mm -107.88 103.01 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 87' ' ' ASP . 68.9 t -93.41 119.54 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.91 -34.28 6.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.409 ' OD2' ' CA ' ' A' ' 50' ' ' GLY . 5.7 m-20 -125.65 -56.36 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.694 ' O ' HG13 ' A' ' 83' ' ' VAL . 17.1 m-85 -146.92 170.97 15.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.807 ' HB3' HG21 ' A' ' 83' ' ' VAL . 4.6 p30 -120.35 49.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.56 -64.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -41.39 -51.36 3.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.955 ' CD2' HG11 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -38.97 -47.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -55.79 -53.37 57.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -54.77 -49.88 69.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 75' ' ' ASN . 35.2 t80 -56.11 -36.94 68.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.436 ' CD2' HD12 ' A' ' 90' ' ' LEU . 6.5 m0 -70.29 -12.97 61.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -106.38 7.56 31.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -116.75 -73.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -107.09 158.21 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.1 98.44 10.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -159.14 151.11 20.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.61 89.41 52.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.595 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.03 -172.82 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -104.72 104.06 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 90' ' ' LEU . 46.0 t -84.93 99.56 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.597 HG23 HD13 ' A' ' 82' ' ' ILE . 34.1 m -132.25 178.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.68 148.1 17.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 1.141 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.1 -36.88 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.709 ' H ' HD23 ' A' ' 23' ' ' LEU . 13.5 tttt -40.22 -48.49 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 44.8 t90 -55.2 -62.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.01 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.604 HD11 HG13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -39.67 -52.28 2.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.05 -62.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.454 ' HB2' HD12 ' A' ' 119' ' ' LEU . 2.1 mm-40 -47.53 -40.62 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 32.9 m -52.52 -49.57 64.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.99 ' CD2' HD23 ' A' ' 62' ' ' LEU . 56.9 m-85 -72.71 -47.93 43.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -55.28 -38.63 68.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.041 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.78 ' HG3' HD11 ' A' ' 119' ' ' LEU . 5.2 mmtt -80.31 -24.98 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.52 -10.85 73.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.578 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 9.2 p90 -140.88 160.46 40.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 0.765 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 82.5 mtp -68.56 132.49 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.78 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.6 mt -106.83 177.44 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.44 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 66.2 m -67.87 145.34 54.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.587 ' CB ' HG11 ' A' ' 104' ' ' VAL . 2.0 mp0 -95.89 -24.14 16.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.614 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.7 mt-10 -54.41 -44.84 99.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.98 2.31 6.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 69.1 m-85 -136.35 37.52 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 22.3 mm -82.32 151.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.412 ' CD2' HG11 ' A' ' 83' ' ' VAL . 25.2 t60 -111.87 106.67 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.591 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.966 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.683 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' ASN . 77.9 p -120.74 151.91 38.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.042 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -48.17 -53.09 18.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.8 -19.56 4.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 3.0 m-20 -125.22 52.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.138 HD23 HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -81.08 -33.99 32.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' CB ' ' HD2' ' A' ' 54' ' ' ARG . 16.3 mt-10 -75.52 -32.74 60.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -107.14 32.6 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.138 HD23 HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -105.79 149.24 26.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.667 ' N ' HD12 ' A' ' 29' ' ' LEU . 15.8 t0 -111.29 89.47 3.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.916 HG23 ' HG ' ' A' ' 62' ' ' LEU . 1.9 p -53.1 -33.55 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -6.62 30.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -76.33 -47.17 24.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.726 ' CE2' HD21 ' A' ' 62' ' ' LEU . 66.6 m-85 -46.79 123.96 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -86.14 0.47 53.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.658 ' HB2' ' HA ' ' A' ' 113' ' ' PHE . . . -42.26 162.91 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.02 164.71 32.78 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.94 7.58 15.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.45 22.6 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 116' ' ' GLY . 52.4 tp -44.06 -62.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.443 HD11 HD21 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -101.72 44.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.8 129.68 14.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.79 42.81 29.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.58 1.175 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 41' ' ' LEU . 61.9 m -116.13 107.28 14.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 4.3 mtt-85 -88.32 108.78 19.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.455 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.2 mt -112.47 157.84 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.939 ' HB3' HG22 ' A' ' 81' ' ' VAL . 4.8 t80 -119.62 123.83 44.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.904 HD22 HD23 ' A' ' 59' ' ' LEU . 96.1 mt -92.58 133.67 35.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.8 131.75 9.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.41 -5.29 38.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.75 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 20.5 m-85 -108.58 -176.71 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 51' ' ' PHE . 2.8 p 155.45 115.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.36 -93.4 0.83 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HD2' ' CB ' ' A' ' 27' ' ' GLU . 4.2 mtm180 -98.12 -66.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.22 -40.96 3.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.959 HD13 ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -69.15 -70.99 0.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.959 ' N ' HD13 ' A' ' 56' ' ' LEU . 1.2 m-20 -38.9 -47.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' CB ' HD22 ' A' ' 26' ' ' LEU . 9.5 mmtt -40.85 -63.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.904 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.67 -55.21 20.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.448 ' CG ' ' HD3' ' A' ' 70' ' ' ARG . 7.3 mtp180 -39.32 -39.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -77.45 -42.72 34.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.916 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -59.19 -65.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' LEU . 9.3 mt -38.93 -56.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -58.6 -42.95 89.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' LEU . 8.2 t -60.19 -15.39 23.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.09 1.88 28.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.18 -14.09 51.51 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.84 158.15 5.19 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.44 116.26 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HD2' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.47 108.21 13.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -84.73 120.16 26.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -74.39 -9.62 58.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 2.5 mt-30 -134.91 174.3 10.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.608 HD22 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -116.46 162.95 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 5.5 p30 155.78 -175.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.86 91.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 169.06 -33.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG11 ' CG2' ' A' ' 81' ' ' VAL . 55.3 t -57.35 114.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.539 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 43.8 p -83.7 -20.36 33.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.42 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 79' ' ' THR . 8.0 m80 -159.91 163.46 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.582 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.939 HG22 ' HB3' ' A' ' 47' ' ' TYR . 39.8 t -139.51 100.7 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.758 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.4 mm -76.19 103.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.746 ' CG2' HG13 ' A' ' 103' ' ' VAL . 76.6 t -95.85 135.59 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.532 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -102.76 -13.51 29.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -160.47 -44.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 6.3 p90 -172.48 174.75 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.643 ' CG ' HD23 ' A' ' 90' ' ' LEU . 8.4 t0 -152.02 99.72 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.1 m-20 -72.27 -49.06 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.3 tm-20 -37.66 -50.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.705 HD12 ' CE2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -37.76 -60.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -42.81 -54.09 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -57.53 -49.34 76.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.608 ' CD2' HD22 ' A' ' 74' ' ' LEU . 22.2 t80 -60.55 -24.78 65.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.705 ' CE2' HD12 ' A' ' 90' ' ' LEU . 11.7 m0 -87.93 -10.64 49.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -105.67 12.37 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -137.46 -60.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.572 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 69.3 m -99.42 157.59 16.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -108.41 99.9 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -168.34 153.96 6.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.581 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -125.46 91.18 49.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.646 ' HG2' HD11 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -74.92 159.74 41.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -82.14 102.21 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.746 HG13 ' CG2' ' A' ' 83' ' ' VAL . 79.1 t -90.25 95.25 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.673 HG21 ' OE1' ' A' ' 121' ' ' GLU . 27.3 m -121.4 178.35 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.19 148.86 17.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 1.042 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -42.74 -36.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.74 ' N ' HD23 ' A' ' 23' ' ' LEU . 7.7 tttt -39.01 -47.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.515 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 45.0 t90 -58.81 -61.84 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.023 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -41.79 -54.51 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.446 HD23 HD22 ' A' ' 62' ' ' LEU . 42.7 mt -48.69 -65.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.488 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.2 mm-40 -43.49 -48.5 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.504 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 71.1 m -50.9 -58.14 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 108.284 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.824 ' CD2' HD23 ' A' ' 62' ' ' LEU . 34.7 m-85 -65.93 -7.48 16.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -89.29 -41.17 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -89.44 -25.88 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.709 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 97.88 -11.95 64.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.802 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 6.0 p90 -128.77 144.72 51.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.2 mtp -60.27 140.34 57.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.802 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -113.31 172.15 7.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.476 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 18.5 m -56.99 141.55 45.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.673 ' OE1' HG21 ' A' ' 104' ' ' VAL . 5.2 mm-40 -95.81 -10.58 28.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 30.3 mt-10 -67.85 -42.89 35.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.1 Cg_endo -75.07 3.63 5.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.536 1.809 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.515 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 96.2 m-85 -139.21 40.95 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 29.2 mm -86.33 148.92 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.416 ' HB3' HG12 ' A' ' 103' ' ' VAL . 1.9 t-80 -110.54 106.73 16.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.573 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.668 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 p -111.06 153.42 25.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.677 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -50.3 -52.77 33.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.93 -17.93 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -124.57 52.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.879 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -82.66 -42.23 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.88 -37.86 82.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -95.95 43.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 21' ' ' PRO . 16.0 tp -105.95 160.86 14.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.58 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 40.1 t0 -126.92 80.71 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.855 HG23 ' HG ' ' A' ' 62' ' ' LEU . 11.2 p -54.73 -22.57 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.03 2.31 24.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -92.34 -42.9 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 39.9 m-85 -49.83 128.41 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 13.9 tt0 -96.09 -2.6 46.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -43.79 167.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.03 164.74 32.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.94 3.63 33.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.07 18.58 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 116' ' ' GLY . 61.7 tp -41.03 -61.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.25 42.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -51.59 131.55 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 46.29 42.92 13.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.2 m -120.37 106.87 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 3.1 mtt-85 -88.88 110.08 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.676 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.6 mt -114.28 147.82 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.669 ' CE2' HD12 ' A' ' 74' ' ' LEU . 5.0 t80 -106.52 117.27 33.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.735 HD22 HD23 ' A' ' 59' ' ' LEU . 42.2 mt -83.42 115.57 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.779 ' SG ' HG22 ' A' ' 83' ' ' VAL . 1.8 p -120.8 165.23 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 38.18 54.69 2.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.576 ' CE2' HD23 ' A' ' 59' ' ' LEU . 9.2 m-85 -144.66 129.67 18.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -157.77 148.09 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.87 -132.83 11.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -67.41 -48.71 66.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.879 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -41.68 -54.07 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.514 ' CD1' HD13 ' A' ' 48' ' ' LEU . 21.0 tp -67.28 -56.73 8.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -39.69 -38.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ARG . 16.2 mmtt -66.07 -72.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.735 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -39.04 -38.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 16.4 mtp-105 -59.09 -51.74 68.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 65' ' ' SER . 59.3 mtt180 -68.08 -28.09 67.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.855 ' HG ' HG23 ' A' ' 31' ' ' VAL . 2.5 mp -71.74 -71.28 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.615 HD12 HD11 ' A' ' 48' ' ' LEU . 21.3 mt -37.79 -55.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -45.1 92.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 11.7 t -60.51 -29.53 69.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -91.35 -7.58 65.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.563 1.164 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.73 63.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.36 160.48 3.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.9 t -110.41 113.58 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.419 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -78.16 102.47 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -75.71 125.12 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -77.21 -14.48 59.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.4 170.98 13.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.763 HD22 ' CG ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -109.73 164.18 12.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.454 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.4 OUTLIER 165.81 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -67.84 -16.47 64.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -45.47 67.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' A' ' 74' ' ' LEU . 79.1 t -43.83 142.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.533 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.9 p -113.84 -17.56 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.676 ' HB2' HG23 ' A' ' 46' ' ' ILE . 11.0 m80 -159.44 157.44 30.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.956 HG11 HD12 ' A' ' 90' ' ' LEU . 76.6 t -135.68 96.97 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 mm -74.99 110.0 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.779 HG22 ' SG ' ' A' ' 49' ' ' CYS . 46.5 t -99.5 139.83 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -115.67 -21.25 5.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.522 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 20.0 m-20 -125.54 -53.55 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 13.4 p90 179.83 -45.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 86' ' ' TYR . 17.6 t0 81.91 108.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -94.29 -34.19 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.5 tp10 -57.91 -45.85 85.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.956 HD12 HG11 ' A' ' 81' ' ' VAL . 1.2 tt -40.5 -50.59 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -48.13 -46.63 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.4 mm-40 -57.96 -50.34 73.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.763 ' CG ' HD22 ' A' ' 74' ' ' LEU . 9.0 t80 -55.07 -37.81 67.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -63.59 -22.47 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.57 11.83 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -115.2 -86.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.7 m -91.34 157.71 16.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.05 98.96 10.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -163.08 157.35 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.19 90.66 49.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.61 40.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -81.34 102.31 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.45 HG22 HD11 ' A' ' 90' ' ' LEU . 46.3 t -91.78 99.11 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 121' ' ' GLU . 27.1 m -129.68 175.26 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.91 149.07 19.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.677 ' HB3' HD22 ' A' ' 23' ' ' LEU . . . -42.13 -36.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' ALA . 4.4 tttt -37.41 -50.42 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.62 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 53.3 t90 -56.54 -64.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -40.01 -48.94 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 21' ' ' PRO . 66.9 mt -52.68 -62.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.9 mm-40 -48.67 -48.39 39.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.718 ' HA ' HD11 ' A' ' 119' ' ' LEU . 80.2 m -40.67 -57.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 108.263 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.779 ' CD2' HD23 ' A' ' 62' ' ' LEU . 53.8 m-85 -65.53 -58.76 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.56 -41.43 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.603 ' HG3' HD21 ' A' ' 119' ' ' LEU . 4.7 mmmt -79.04 -24.53 43.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.519 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 90.13 -16.02 58.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.578 ' CE1' ' HG ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -132.81 162.94 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.789 . . . . 0.0 110.949 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 75.9 mtp -76.78 145.58 38.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.939 ' N ' HD12 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -116.51 -179.79 3.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.501 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.9 m -68.3 144.62 54.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.47 ' HB3' HG11 ' A' ' 104' ' ' VAL . 2.2 mt-10 -94.7 -9.05 36.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.622 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 13.3 mt-10 -72.82 -44.45 8.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.93 0.29 9.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.551 1.816 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.486 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 61.1 m-85 -133.42 34.44 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 121' ' ' GLU . 13.9 mm -75.98 153.29 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.523 ' CD2' ' HB ' ' A' ' 83' ' ' VAL . 2.3 t-80 -111.51 106.26 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.798 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.2 p -114.63 163.15 15.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.921 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -60.07 -59.86 4.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -47.23 -22.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 23' ' ' LEU . 4.7 m-20 -119.67 59.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.668 HD23 HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -92.22 -37.22 12.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -68.78 -36.68 78.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.48 -44.02 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.898 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -44.96 145.03 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 27.7 t0 -110.31 127.92 55.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.946 HG23 ' HG ' ' A' ' 62' ' ' LEU . 4.3 p -80.62 -32.32 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.12 4.77 18.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.57 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -87.97 -45.91 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.898 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 84.9 m-85 -47.23 135.79 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.172 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -97.32 6.14 48.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -55.17 169.64 0.43 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.02 154.34 42.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -8.4 53.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -118.81 20.49 12.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 113' ' ' PHE . 48.5 tp -39.04 -65.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 63' ' ' ILE . 1.7 mt -92.53 54.39 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.25 124.16 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.31 37.9 75.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.09 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.8 m -124.75 104.63 8.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.7 mtm-85 -84.46 123.0 29.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 80' ' ' HIS . 1.8 mt -122.0 144.93 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.758 ' HD2' HG13 ' A' ' 81' ' ' VAL . 56.9 t80 -109.59 118.96 37.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.958 HD22 HD23 ' A' ' 59' ' ' LEU . 57.0 mt -84.17 132.5 34.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.96 153.95 48.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.58 55.11 9.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.525 ' CE1' ' HA3' ' A' ' 84' ' ' GLY . 13.1 m-85 -142.96 131.84 22.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.86 165.18 36.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.88 -122.66 13.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -81.19 -47.07 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.537 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -40.79 -50.54 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 51' ' ' PHE . 5.9 tp -66.77 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -39.43 -47.72 1.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 50.2 mmtt -53.49 -66.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.958 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -44.42 -57.86 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' LEU . 4.4 mtt180 -38.99 -52.31 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -65.73 -42.11 91.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.946 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -57.36 -70.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.505 HD12 HD11 ' A' ' 48' ' ' LEU . 11.4 mt -38.11 -55.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -57.65 -45.71 85.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' LEU . 39.8 t -57.18 -29.34 63.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.56 -15.12 60.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.91 -15.25 62.91 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.53 164.58 8.54 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.3 t -110.25 116.85 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 70' ' ' ARG . 4.7 ttp-105 -84.14 109.61 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.634 ' CZ ' ' HB2' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -86.11 108.94 18.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.73 -20.45 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -123.94 151.97 43.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.53 HD22 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.9 125.35 31.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.577 ' C ' ' CE1' ' A' ' 93' ' ' PHE . 6.0 m120 -148.8 -174.07 4.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' CG ' ' CB ' ' A' ' 97' ' ' SER . 13.3 mt-10 -85.15 12.34 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.634 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -94.36 -50.08 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.697 HG21 ' CB ' ' A' ' 47' ' ' TYR . 1.1 p -55.68 136.12 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.472 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 82.6 p -105.4 -15.58 14.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.6 m80 -141.25 147.15 37.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.639 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.993 HG11 HD12 ' A' ' 90' ' ' LEU . 74.1 t -127.49 105.91 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.444 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.1 mm -82.72 112.78 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.592 ' CG2' HG13 ' A' ' 103' ' ' VAL . 39.0 t -96.75 126.07 49.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.525 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -97.68 -36.19 4.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -133.04 -48.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -164.91 149.52 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.417 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 20.0 p-10 -106.6 91.92 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' LYS . 18.0 m-20 -92.02 -56.72 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.509 ' CB ' ' OH ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -38.81 -54.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.993 HD12 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -38.46 -43.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.517 ' CG ' ' N ' ' A' ' 92' ' ' GLN . 3.2 pttt -51.7 -53.05 43.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.517 ' N ' ' CG ' ' A' ' 91' ' ' LYS . 8.5 mt-30 -57.68 -41.72 82.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.577 ' CE1' ' C ' ' A' ' 75' ' ' ASN . 57.8 t80 -68.34 -27.24 66.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.555 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 3.4 m0 -72.0 -24.46 61.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 107.958 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.34 1.96 54.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -107.08 -80.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.44 ' CB ' ' CG ' ' A' ' 76' ' ' GLU . 58.8 m -102.18 158.12 16.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.61 98.37 10.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -159.46 145.4 16.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.578 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.34 89.81 47.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.495 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.06 161.26 38.89 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -75.47 108.53 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.592 HG13 ' CG2' ' A' ' 83' ' ' VAL . 92.1 t -93.68 96.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.583 HG11 ' CB ' ' A' ' 121' ' ' GLU . 16.3 m -128.78 178.58 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 107' ' ' LYS . . . -103.18 153.88 18.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.446 1.091 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.921 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -47.41 -22.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 14.9 tttt -60.54 -14.28 18.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.588 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 8.2 t90 -99.84 -3.74 31.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 107.998 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.686 HD11 ' HE2' ' A' ' 113' ' ' PHE . 9.4 tp -92.17 -47.49 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.805 HD22 ' O ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -58.85 -56.24 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.5 mm-40 -47.68 -38.86 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 118' ' ' MET . 67.0 m -62.16 -55.71 26.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 108.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.686 ' HE2' HD11 ' A' ' 109' ' ' LEU . 29.4 m-85 -70.12 -6.92 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.9 t -97.33 -45.77 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 1.2 mmtt -74.08 -23.07 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.99 -13.07 63.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.412 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 2.8 p90 -141.62 165.98 25.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.413 ' HA ' ' SG ' ' A' ' 112' ' ' CYS . 12.2 mtp -69.01 147.6 51.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.504 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.7 mt -117.91 177.6 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.485 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.8 m -66.93 143.41 56.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.583 ' CB ' HG11 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -95.75 -9.19 32.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.621 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 45.3 mt-10 -71.97 -43.01 10.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.04 3.19 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.588 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 74.7 m-85 -138.82 39.44 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 21.5 mm -83.16 148.59 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -114.56 106.82 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.2 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.549 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -115.78 151.21 35.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.985 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -45.84 -65.73 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 11.4 mt-10 -37.61 -66.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -80.9 62.25 4.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 13.4 tp -97.83 -26.27 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -75.34 -50.73 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -68.67 -22.88 64.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.803 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.9 tp -55.22 138.41 45.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 14.2 t0 -106.27 101.4 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.904 HG23 ' HG ' ' A' ' 62' ' ' LEU . 10.7 p -56.62 -24.1 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.37 4.68 14.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -92.96 -42.93 9.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.803 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 53.5 m-85 -49.25 130.86 19.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 8.2 tt0 -94.9 -5.13 45.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 113' ' ' PHE . . . -43.46 166.5 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.1 162.5 36.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.67 4.62 21.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -131.35 16.91 4.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' ASP . 54.9 tp -39.54 -70.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -85.73 48.76 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.45 127.15 29.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.17 39.93 58.82 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.4 m -123.45 104.32 9.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -87.32 121.51 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.641 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.4 mp -120.49 157.52 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.791 ' HD2' HG13 ' A' ' 81' ' ' VAL . 89.0 t80 -115.92 116.1 27.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.945 HD22 HD23 ' A' ' 59' ' ' LEU . 62.6 mt -83.27 119.03 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.9 t -133.54 130.08 37.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.25 52.86 5.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 35.2 m-85 -145.97 136.56 24.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -165.45 147.83 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.998 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.08 -117.23 4.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.25 -52.51 6.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -41.47 -55.15 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD22 ' O ' ' A' ' 51' ' ' PHE . 8.5 tp -59.24 -61.97 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -40.31 -43.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' ARG . 69.0 mmtt -58.37 -73.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.945 HD23 HD22 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -39.86 -42.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 23.3 mtt-85 -55.55 -50.45 69.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' LYS . 78.1 mtt180 -69.81 -40.58 75.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.904 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.8 mp -56.84 -66.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.86 HD13 ' HB3' ' A' ' 70' ' ' ARG . 16.8 mt -40.1 -55.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.31 -40.89 75.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.6 t -65.99 -16.66 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -104.45 -10.36 33.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.21 -0.94 87.57 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.65 166.38 53.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 t -121.07 120.18 61.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.86 ' HB3' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -88.9 128.34 35.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 77' ' ' ASP . 1.4 m-85 -99.62 117.03 33.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -69.53 -19.77 63.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -123.44 143.69 49.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.727 HD22 ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.89 127.62 33.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.547 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -156.18 -174.22 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -83.0 9.27 10.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 1.1 m-20 -89.89 -48.21 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.708 HG21 ' HB2' ' A' ' 47' ' ' TYR . 1.8 p -63.74 148.06 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.411 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 80.6 p -110.08 -26.94 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.641 ' HB2' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -127.51 156.48 42.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.569 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.063 HG11 HD12 ' A' ' 90' ' ' LEU . 67.2 t -136.96 97.54 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.503 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.6 mm -77.41 102.38 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.828 HG22 ' HB3' ' A' ' 87' ' ' ASP . 92.6 t -88.09 106.9 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -98.72 -12.42 43.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 86' ' ' TYR . 1.1 m-20 -173.63 78.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 85' ' ' ASP . 43.8 m-85 59.28 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.828 ' HB3' HG22 ' A' ' 83' ' ' VAL . 13.0 p-10 -116.0 42.65 2.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ASP . 4.6 m-20 -39.78 -30.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' GLN . 0.1 OUTLIER -60.19 -55.2 36.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.063 HD12 HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -39.97 -53.74 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.02 -41.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.6 mm100 -64.08 -47.68 79.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.476 ' CD2' HD12 ' A' ' 74' ' ' LEU . 17.7 t80 -61.53 -19.64 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.681 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 12.2 m0 -81.56 -22.81 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 107.995 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -101.52 5.9 42.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -108.62 -76.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.6 m -109.26 158.07 18.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.52 97.34 11.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -168.71 141.64 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.589 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.69 98.28 49.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.451 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.02 162.26 37.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.497 ' CD2' ' OE2' ' A' ' 121' ' ' GLU . 24.0 m-70 -74.9 108.43 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.638 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 83' ' ' VAL . 26.8 t -94.78 110.07 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 33.6 m -139.31 178.17 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.42 149.65 17.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.985 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.41 -35.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.671 ' H ' HD23 ' A' ' 23' ' ' LEU . 3.1 tttt -39.19 -50.23 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.616 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 41.8 t90 -58.27 -61.81 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -40.3 -44.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.36 -63.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.43 -48.25 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.709 ' HA ' HD11 ' A' ' 119' ' ' LEU . 96.6 m -41.39 -57.85 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.787 ' CD2' HD23 ' A' ' 62' ' ' LEU . 61.8 m-85 -64.91 -59.28 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 t -46.77 -48.72 20.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.513 ' HE2' ' CD2' ' A' ' 119' ' ' LEU . 1.3 mmmt -72.06 -26.66 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.83 -2.25 87.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.63 ' CE1' ' HG ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -142.79 155.87 44.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 111.004 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.9 mtp -71.66 141.37 49.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.92 ' N ' HD12 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -114.24 179.75 3.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.499 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 59.5 m -68.93 145.03 54.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.522 ' OE2' ' CD2' ' A' ' 80' ' ' HIS . 34.6 mt-10 -95.02 -9.4 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.62 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 29.2 mt-10 -73.4 -44.55 7.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.94 1.15 8.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 57.1 m-85 -134.11 36.22 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 20.5 mm -80.02 146.48 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -107.14 110.46 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.554 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.576 ' O ' HD13 ' A' ' 110' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.3 p -108.8 165.27 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.994 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -59.33 -60.55 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -44.28 -26.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 23' ' ' LEU . 26.6 m-20 -121.28 59.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.812 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -85.91 -43.14 13.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -71.08 -13.13 61.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -110.98 -7.79 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.856 HD22 ' N ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -69.03 131.5 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.856 ' N ' HD22 ' A' ' 29' ' ' LEU . 32.2 t0 -97.31 89.26 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.778 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.6 p -52.74 -34.57 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -8.7 31.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -77.16 -45.48 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.663 ' CE2' HD21 ' A' ' 29' ' ' LEU . 45.7 m-85 -48.96 123.87 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -88.93 2.37 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.74 166.51 0.15 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.96 157.12 43.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.62 -3.59 32.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -124.85 20.15 8.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD23 ' CD1' ' A' ' 113' ' ' PHE . 47.6 tp -40.02 -59.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -98.85 53.45 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.42 126.58 27.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.99 38.87 39.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.9 m -122.24 109.11 14.07 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -86.56 126.35 34.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.46 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.4 mt -125.79 143.46 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.743 ' HD2' HG13 ' A' ' 81' ' ' VAL . 55.5 t80 -110.35 118.81 37.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.634 HD22 HD23 ' A' ' 59' ' ' LEU . 47.1 mt -83.14 132.82 35.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.26 136.85 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 108.29 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.92 56.05 16.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.519 ' CE2' HD23 ' A' ' 59' ' ' LEU . 19.1 m-85 -148.24 133.75 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.14 165.71 35.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.29 -120.73 13.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -48.03 10.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.812 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -40.04 -46.14 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.478 HD12 HD13 ' A' ' 48' ' ' LEU . 15.1 tp -72.04 -59.4 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' LEU . 11.7 t70 -39.3 -45.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 29' ' ' LEU . 72.6 mmtt -56.28 -70.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.634 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -41.16 -47.61 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -52.3 -44.1 64.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' LYS . 80.2 mtt180 -73.28 -30.49 63.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.845 HD23 ' CD2' ' A' ' 113' ' ' PHE . 2.7 mp -68.77 -68.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.495 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 8.7 mt -39.41 -54.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.19 -45.3 91.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' LEU . 30.5 t -58.75 -27.85 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' ASP . . . -88.33 -18.67 54.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.51 -1.58 62.14 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.13 167.65 54.87 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -107.56 135.78 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.8 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HD2' HD12 ' A' ' 48' ' ' LEU . 7.7 ttp-105 -103.0 107.86 18.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CZ ' ' CB ' ' A' ' 77' ' ' ASP . 2.0 m-85 -86.53 104.23 15.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.43 -15.31 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -129.49 141.87 50.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.548 HD21 ' HG ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -71.9 126.48 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -147.81 -175.64 4.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -87.31 16.84 4.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.621 ' CB ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -100.88 -48.43 4.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.662 HG21 ' CB ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -54.35 139.06 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.488 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 21.5 p -118.6 5.4 11.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.835 ' HB3' ' HE2' ' A' ' 102' ' ' HIS . 45.3 m80 -155.27 138.69 15.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.564 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.108 HG11 HD12 ' A' ' 90' ' ' LEU . 40.3 t -126.16 109.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.428 ' CG2' ' HA ' ' A' ' 106' ' ' ALA . 1.2 mm -92.08 104.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.595 HG21 ' CG1' ' A' ' 103' ' ' VAL . 33.3 t -86.22 115.41 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.26 -41.6 4.22 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -124.68 -44.86 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -173.63 173.43 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 29.7 p-10 -138.52 92.42 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -94.38 -32.17 13.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' GLN . 3.3 tp10 -67.67 -47.24 70.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.108 HD12 HG11 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -44.91 -49.95 10.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HA ' ' CE3' ' A' ' 94' ' ' TRP . 33.0 mttt -51.33 -37.76 49.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -66.49 -44.12 83.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 97' ' ' SER . 50.9 t80 -65.46 -16.15 63.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.768 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 16.8 m0 -79.61 -12.04 59.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 107.988 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -116.97 11.1 14.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -110.91 -77.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.43 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 45.9 m -106.83 158.94 16.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.2 96.67 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -175.44 130.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -118.88 94.19 47.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.634 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.01 156.3 42.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.891 ' HE1' HG22 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -61.95 156.08 21.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.595 ' CG1' HG21 ' A' ' 83' ' ' VAL . 18.2 t -135.27 95.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.891 HG22 ' HE1' ' A' ' 102' ' ' HIS . 3.1 m -126.35 178.24 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.38 165.71 23.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.158 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.994 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -58.02 -36.0 72.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.659 ' HA ' HD12 ' A' ' 110' ' ' LEU . 15.6 tttt -38.8 -48.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 62.5 t90 -53.97 -63.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -40.28 -46.58 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 107' ' ' LYS . 26.5 mt -57.89 -59.29 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.1 mm-40 -50.97 -33.74 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.233 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.567 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 34.5 m -64.08 -57.66 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.246 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.845 ' CD2' HD23 ' A' ' 62' ' ' LEU . 47.8 m-85 -69.47 -12.47 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.5 t -90.78 -43.42 10.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.762 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.5 mmtt -79.57 -18.21 52.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.492 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 91.53 -15.99 60.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.791 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 3.7 p90 -136.9 155.37 49.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.502 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 66.4 mtp -65.0 139.84 58.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.791 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -113.76 177.17 4.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.416 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 49.5 m -62.66 141.69 58.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.628 ' HB3' HG11 ' A' ' 104' ' ' VAL . 1.2 mp0 -96.32 -23.83 16.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.586 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 17.8 mt-10 -55.27 -46.37 99.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.98 6.92 3.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.441 ' CD1' ' HB2' ' A' ' 108' ' ' TRP . 45.3 m-85 -133.14 16.11 4.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.519 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 8.4 mm -62.79 144.75 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -109.72 108.99 19.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.569 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.945 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.795 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -113.61 161.4 17.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.065 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -54.71 -72.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 1.3 mp0 -38.1 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' LEU . 61.4 m-20 -110.47 60.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -97.94 -29.74 13.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -69.39 -51.11 39.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -90.86 37.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.795 HD13 ' HA ' ' A' ' 21' ' ' PRO . 20.3 tp -98.96 154.3 18.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.844 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 20.4 t0 -119.03 94.49 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.966 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -65.6 -12.44 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.53 9.82 38.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.844 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -96.98 -44.27 7.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.807 ' CE2' HD21 ' A' ' 62' ' ' LEU . 74.5 m-85 -48.19 120.47 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ALA . 34.6 mt-30 -85.28 -4.11 59.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.96 168.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.04 152.59 40.75 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 65' ' ' SER . 1.5 mt-10 -68.81 -7.43 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -120.16 19.32 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.67 HD23 ' CD1' ' A' ' 113' ' ' PHE . 55.4 tp -38.64 -54.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.624 HD11 ' CZ ' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -104.48 57.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.63 127.57 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.65 41.91 43.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.4 m -120.35 109.37 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.568 ' HG2' ' CE1' ' A' ' 71' ' ' PHE . 4.0 mtm-85 -94.43 114.66 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.492 HG21 ' CG1' ' A' ' 82' ' ' ILE . 1.8 mt -114.41 152.51 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 1.041 ' CD2' HD12 ' A' ' 74' ' ' LEU . 59.2 t80 -110.19 125.53 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.035 HD22 HD13 ' A' ' 59' ' ' LEU . 87.2 mt -90.67 118.79 30.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.6 t -129.93 138.36 50.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 108.289 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.42 61.6 5.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.701 ' O ' HD22 ' A' ' 56' ' ' LEU . 19.6 m-85 -151.8 118.17 5.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 0.759 . . . . 0.0 111.019 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.98 123.03 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.36 -116.43 3.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -90.28 -52.26 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HB3' HD13 ' A' ' 26' ' ' LEU . 1.9 mttt -40.4 -39.51 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 51' ' ' PHE . 14.2 tp -71.1 -69.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -38.84 -42.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 10.9 mmtt -53.52 -64.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.035 HD13 HD22 ' A' ' 48' ' ' LEU . 68.1 mt -46.95 -51.03 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -46.69 -28.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -96.0 -36.38 11.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.966 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -66.96 -60.62 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.845 HD11 HD21 ' A' ' 48' ' ' LEU . 3.6 mt -48.7 -43.86 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -41.01 90.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -51.82 -51.99 52.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -72.39 -2.61 55.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.29 -17.75 49.79 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.49 175.26 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -132.64 121.38 44.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -89.14 131.08 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CE2' ' CB ' ' A' ' 77' ' ' ASP . 2.3 m-85 -103.2 116.93 33.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -58.09 -32.58 68.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -122.96 135.22 54.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.041 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -74.46 146.04 43.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 77' ' ' ASP . 7.3 p-10 176.93 -178.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 6.5 mt-10 -64.26 74.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.62 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 4.0 m-20 -168.31 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -73.5 117.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 45' ' ' ARG . 77.8 p -84.12 -18.13 37.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.761 ' O ' HG23 ' A' ' 78' ' ' VAL . 3.5 m80 -143.06 147.52 35.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.573 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.655 HG11 HD22 ' A' ' 90' ' ' LEU . 65.8 t -121.17 117.36 52.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.566 HD13 HG23 ' A' ' 104' ' ' VAL . 4.1 mm -97.75 101.57 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 87' ' ' ASP . 95.6 t -92.79 131.97 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.88 -61.26 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.65 -38.2 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 8.4 p90 -171.52 165.44 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.552 ' HB3' HG22 ' A' ' 83' ' ' VAL . 5.5 p-10 -137.02 97.56 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -85.93 -33.86 21.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -62.08 -39.94 94.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.655 HD22 HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -47.99 -61.02 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -42.87 -42.74 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -64.05 -47.66 79.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.628 ' CD2' HD22 ' A' ' 74' ' ' LEU . 29.1 t80 -59.57 -19.89 51.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -81.94 -19.45 40.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.979 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -106.78 9.07 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -82.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 76' ' ' GLU . 47.1 m -105.0 158.29 16.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.31 97.22 10.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -167.34 130.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.01 94.12 37.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.42 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.0 -179.97 5.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -92.53 113.81 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.573 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.645 HG22 HD21 ' A' ' 90' ' ' LEU . 39.6 t -92.97 98.88 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.935 HG11 ' CB ' ' A' ' 121' ' ' GLU . 21.4 m -130.52 177.15 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.62 150.84 18.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 1.065 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -44.39 -38.11 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.613 ' H ' HD23 ' A' ' 23' ' ' LEU . 10.1 tttt -38.6 -48.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.554 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 23.8 t90 -55.27 -58.61 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 107.994 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.571 HD11 HG13 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -44.95 -45.9 10.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 21' ' ' PRO . 53.1 mt -55.58 -64.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.0 mm-40 -46.65 -42.5 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.495 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 59.6 m -50.7 -45.74 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.764 ' CD2' HD23 ' A' ' 62' ' ' LEU . 43.0 m-85 -78.64 -48.2 15.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.3 t -54.33 -36.33 63.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.824 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.7 mmtt -83.45 -26.0 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.478 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . 93.41 -13.45 67.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.727 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 4.0 p90 -137.47 139.72 40.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.8 mtp -53.11 140.03 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.824 HD11 ' HG3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -116.14 177.46 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -69.57 147.91 50.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.935 ' CB ' HG11 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -97.56 -24.22 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.569 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 0.7 OUTLIER -48.71 -47.79 71.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -75.02 3.77 5.33 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.554 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 72.1 m-85 -134.75 24.89 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.561 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 2.8 mm -66.53 154.93 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.587 ' HB3' HG12 ' A' ' 103' ' ' VAL . 2.2 t-80 -113.15 111.35 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.62 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.03 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 p -108.03 153.78 22.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.959 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -49.0 -57.33 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.15 -23.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -120.91 61.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.871 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -93.13 -42.23 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 5.3 mt-10 -74.47 -24.75 59.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -107.03 24.92 12.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.845 HD12 ' H ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -101.0 155.27 18.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.845 ' H ' HD12 ' A' ' 29' ' ' LEU . 12.0 t0 -116.0 92.49 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.932 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.7 p -53.41 -33.0 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -6.01 31.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -76.94 -46.75 23.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.671 ' CE2' HD21 ' A' ' 62' ' ' LEU . 64.5 m-85 -51.03 127.12 18.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 6.0 tt0 -91.39 -3.58 56.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -41.68 162.84 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.02 159.65 41.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' CA ' ' A' ' 67' ' ' GLY . 2.2 mt-10 -75.07 -11.99 60.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.68 20.86 16.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.487 HD22 ' HB1' ' A' ' 36' ' ' ALA . 37.1 tp -43.05 -58.79 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.83 HD13 ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -106.68 39.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -44.52 122.51 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.12 40.54 97.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 56.1 m -120.7 107.4 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' THR . 11.7 mtt-85 -83.3 101.79 11.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.83 ' CD1' HD13 ' A' ' 41' ' ' LEU . 3.5 mt -102.18 165.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.827 ' CE2' HD12 ' A' ' 74' ' ' LEU . 78.1 t80 -144.55 170.96 15.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 47' ' ' TYR . 2.2 mm? -125.6 125.03 42.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 87' ' ' ASP . 7.0 t -127.75 98.8 5.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.29 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.81 24.48 5.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.41 ' CE1' HD21 ' A' ' 59' ' ' LEU . 57.8 m-85 -119.58 169.52 9.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.15 -74.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . -55.09 -165.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLY . 47.9 mtt180 -38.46 -38.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.871 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.3 mttt -42.42 -48.01 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASP . 1.4 tp -65.54 -69.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.8 t70 -39.26 -42.14 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.684 ' O ' HD12 ' A' ' 62' ' ' LEU . 10.0 mmtt -50.06 -62.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -55.3 -46.45 76.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -48.93 -47.71 43.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -68.87 -42.18 77.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.932 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -59.61 -66.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.566 HD13 ' HD2' ' A' ' 70' ' ' ARG . 4.6 mt -37.81 -55.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.69 -44.44 96.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 20.0 t -61.88 -14.03 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -110.42 -1.55 29.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 38' ' ' GLU . . . 87.15 -18.86 33.96 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 41' ' ' LEU . . . -51.13 155.12 3.55 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 13.5 t -92.89 111.5 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.566 ' HD2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -87.22 100.16 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.483 ' O ' ' CZ ' ' A' ' 70' ' ' ARG . 1.6 m-30 -73.94 154.37 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -90.3 -30.97 17.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -136.3 146.24 46.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.827 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -70.3 164.03 25.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.763 ' H ' HD23 ' A' ' 74' ' ' LEU . 5.3 p30 156.82 -175.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 17.4 mt-10 -65.9 90.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.482 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.2 m-20 169.53 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 80' ' ' HIS . 74.0 t -59.13 106.94 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 72.6 p -76.83 -16.29 59.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.51 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 18.8 m80 -152.17 142.31 22.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.023 HG11 HD12 ' A' ' 90' ' ' LEU . 75.3 t -119.93 101.84 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.495 ' HB ' HD13 ' A' ' 48' ' ' LEU . 1.6 mm -83.83 117.05 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.574 ' CG2' HG13 ' A' ' 103' ' ' VAL . 44.4 t -103.36 141.68 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.8 -38.34 3.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -134.83 -49.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -158.03 166.27 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 19.4 p-10 -123.43 85.88 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -93.12 -28.48 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.23 -42.15 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.023 HD12 HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -44.87 -52.68 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' LEU . 18.8 mttm -39.28 -47.43 1.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.6 -52.31 64.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 75' ' ' ASN . 9.6 t80 -58.1 -21.97 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.624 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 10.9 m0 -82.71 -25.44 32.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 108.012 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -88.56 -0.28 57.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -108.01 -66.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.467 ' CB ' ' HG3' ' A' ' 76' ' ' GLU . 58.8 m -118.09 158.6 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.22 98.24 10.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -152.98 146.97 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.572 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.67 89.29 51.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.474 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.05 178.18 7.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.06 102.23 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.574 HG13 ' CG2' ' A' ' 83' ' ' VAL . 55.0 t -85.33 95.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.628 HG11 ' HB3' ' A' ' 121' ' ' GLU . 32.8 m -125.23 175.61 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.41 149.75 18.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.959 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.03 -35.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.69 ' H ' HD23 ' A' ' 23' ' ' LEU . 4.3 tttt -39.34 -46.99 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.592 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 49.1 t90 -59.48 -64.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.548 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -38.02 -51.31 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' SER . 25.9 mt -54.25 -63.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 119' ' ' LEU . 4.4 mm-40 -44.12 -40.08 4.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 68.8 m -60.59 -57.28 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.74 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -68.92 -11.56 60.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' LEU . 31.1 t -88.56 -46.02 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.68 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.3 mmtt -76.59 -21.79 55.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.407 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 98.54 -15.22 61.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.598 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 13.1 p90 -134.25 164.83 26.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.4 mtp -73.92 135.24 43.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.68 HD11 ' HG3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -109.6 176.79 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.444 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 8.1 m -67.44 145.81 54.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.628 ' HB3' HG11 ' A' ' 104' ' ' VAL . 1.7 mp0 -95.02 -10.24 31.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.644 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 32.0 mt-10 -63.75 -43.11 75.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.05 2.11 7.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.499 ' O ' HG12 ' A' ' 104' ' ' VAL . 96.8 m-85 -138.93 43.22 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 30.7 mm -87.08 149.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.464 ' HB3' HG12 ' A' ' 103' ' ' VAL . 1.8 t-80 -114.02 106.3 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 m -125.82 146.71 49.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -176.44 131.56 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.37 -171.77 33.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -170.88 155.31 4.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -112.2 170.13 8.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.31 -176.65 15.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.35 141.16 30.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 109.965 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -141.26 173.19 11.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 p -139.45 79.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 12' ' ' CYS . 4.0 mt -93.49 161.59 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 25.5 p -99.12 132.93 44.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 108.333 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -158.98 138.85 11.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -50.9 143.9 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -170.11 -68.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -143.15 129.57 20.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m 42.99 88.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -122.85 128.72 50.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.627 HD23 ' HB3' ' A' ' 25' ' ' ASN . 6.9 mp 60.23 150.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.46 150.02 97.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HA ' HD23 ' A' ' 29' ' ' LEU . 18.3 Cg_endo -75.03 56.63 4.33 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 p -114.6 155.4 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.967 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -50.23 -57.73 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 42.6 mt-10 -37.9 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.627 ' HB3' HD23 ' A' ' 19' ' ' LEU . 8.9 m-20 -126.03 53.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -80.12 -44.67 19.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 3.6 mt-10 -59.4 -25.33 64.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -121.29 35.37 4.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.991 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -94.82 122.82 37.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.756 ' N ' HD22 ' A' ' 29' ' ' LEU . 48.4 t0 -80.16 85.59 5.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.838 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.3 p -54.46 -33.43 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -8.21 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -75.37 -46.51 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CE2' HD21 ' A' ' 29' ' ' LEU . 62.3 m-85 -48.0 116.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -79.88 -1.16 37.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.581 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -42.91 164.61 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.02 157.0 42.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -73.7 -3.03 25.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -126.38 20.99 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD22 ' HB1' ' A' ' 36' ' ' ALA . 38.6 tp -39.78 -58.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.742 HD11 ' HE1' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -107.25 63.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.74 124.83 23.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.54 38.65 58.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.0 m -112.3 105.83 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.4 mtm-85 -89.52 111.93 22.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.693 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.5 mp -111.3 150.6 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.912 ' CE2' HD12 ' A' ' 74' ' ' LEU . 73.2 t80 -110.31 116.27 31.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.745 HD22 HD23 ' A' ' 59' ' ' LEU . 81.7 mt -87.97 130.91 34.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.18 137.25 25.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 108.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.35 -70.48 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 106' ' ' ALA . 43.7 m-85 -42.02 161.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.12 -56.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.85 -132.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 50.3 mtt-85 -71.32 -38.92 71.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HB3' HD13 ' A' ' 26' ' ' LEU . 10.5 mttt -40.19 -49.27 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 HD13 ' A' ' 48' ' ' LEU . 40.8 tp -66.88 -58.21 5.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.69 -34.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 61' ' ' ARG . 49.6 mmtt -66.74 -68.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.745 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -38.64 -40.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -57.26 -51.34 69.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 65' ' ' SER . 66.4 mtt85 -69.5 -31.16 69.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.838 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.6 mp -69.26 -71.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.9 mt -38.65 -54.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -61.19 -44.59 97.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 2.7 t -54.81 -36.32 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -91.65 5.56 79.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.97 -20.62 27.91 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -46.82 164.88 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -119.98 122.87 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.568 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.61 106.42 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 73' ' ' GLN . 1.1 m-85 -80.32 141.27 35.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -79.35 -23.21 43.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 2.5 mt-30 -129.99 175.0 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.912 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -101.29 159.0 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.585 ' H ' HD23 ' A' ' 74' ' ' LEU . 35.2 m-80 -173.4 -175.71 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -74.64 -15.51 60.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -73.93 -35.46 64.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 80' ' ' HIS . 55.4 t -44.67 122.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.551 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 47.3 p -99.09 -12.41 20.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.693 ' HB2' HG23 ' A' ' 46' ' ' ILE . 25.5 m80 -159.72 159.47 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 47' ' ' TYR . 41.6 t -137.6 96.27 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.677 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.2 mm -77.49 105.28 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.654 ' CG2' HG13 ' A' ' 103' ' ' VAL . 58.0 t -95.25 150.95 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.11 -34.22 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -141.64 -49.13 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.75 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.543 ' CE2' ' OD1' ' A' ' 88' ' ' ASP . 0.4 OUTLIER -168.21 145.85 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -116.43 104.71 11.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.543 ' OD1' ' CE2' ' A' ' 86' ' ' TYR . 44.2 m-20 -79.87 -56.71 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -40.04 -43.78 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.597 HD21 ' CG2' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -41.45 -48.46 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -55.94 -52.68 63.27 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -55.25 -54.01 48.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.57 ' CD2' HD22 ' A' ' 74' ' ' LEU . 35.6 t80 -53.32 -35.72 60.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -67.92 -33.1 74.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -80.51 -10.69 59.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -96.19 -79.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.7 m -99.1 157.79 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.57 99.01 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -159.77 156.45 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -125.79 92.0 47.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.0 36.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -84.88 105.16 15.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.654 HG13 ' CG2' ' A' ' 83' ' ' VAL . 85.1 t -92.03 109.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.793 HG21 ' OE2' ' A' ' 121' ' ' GLU . 29.7 m -135.35 177.37 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.76 148.5 18.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.967 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -41.96 -35.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.403 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.0 tttt -40.73 -48.31 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.553 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 35.5 t90 -57.73 -61.16 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.494 ' HG ' HD11 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -39.36 -49.14 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 mt -56.08 -64.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 119' ' ' LEU . 4.3 mm-40 -42.14 -42.0 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 71.9 m -58.34 -57.8 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.742 ' HE1' HD11 ' A' ' 41' ' ' LEU . 21.5 m-85 -68.46 -8.71 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.8 t -91.81 -44.05 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HG3' HD11 ' A' ' 119' ' ' LEU . 1.6 mmtt -80.11 -21.62 43.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.78 -9.96 68.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.543 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 13.0 p90 -140.47 156.66 46.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.7 mtp -63.99 142.12 58.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.595 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.1 mt -116.15 176.74 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.451 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 58.5 m -64.84 146.26 55.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.793 ' OE2' HG21 ' A' ' 104' ' ' VAL . 1.6 mm-40 -96.19 -24.22 16.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.614 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.3 mt-10 -55.27 -44.39 99.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.16 5.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.597 ' O ' HG12 ' A' ' 104' ' ' VAL . 69.4 m-85 -139.45 41.33 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 24.2 mm -85.36 140.68 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -101.67 109.96 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.53 172.58 6.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -82.16 178.02 53.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.44 1.087 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.71 9.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.6 t 68.61 160.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.6 p -137.99 -55.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -152.5 126.63 9.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -77.7 -165.76 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.38 -145.8 4.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 p -153.16 166.71 31.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.979 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.3 p -106.66 -175.15 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.59 -113.5 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 p -147.48 173.07 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.006 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.47 164.94 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.9 p -119.95 167.09 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -147.27 125.61 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.32 146.54 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.334 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -149.65 156.71 42.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.2 p -164.23 165.79 21.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 170.71 13.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -71.99 112.53 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.7 p -173.78 122.35 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.93 144.63 11.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mt -146.31 149.9 34.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -39.21 152.95 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.679 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -75.04 68.49 5.78 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 20' ' ' GLU . 65.0 p -119.27 159.41 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.785 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -53.4 -58.11 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.52 -21.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -122.26 60.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.704 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -93.87 -41.43 9.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.04 -37.86 84.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -103.82 45.73 0.95 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 21' ' ' PRO . 21.5 tp -102.74 149.75 24.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' H ' HD12 ' A' ' 29' ' ' LEU . 43.3 t0 -114.74 80.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.888 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -54.06 -23.33 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -15.24 60.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -47.46 62.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.689 ' CE2' HD21 ' A' ' 62' ' ' LEU . 45.9 m-85 -46.49 124.46 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ALA . 9.8 mm-40 -94.0 -1.75 54.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.06 166.65 0.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.04 154.81 42.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.432 1.754 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.18 -5.34 31.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -120.76 19.32 11.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.518 HD22 ' HB1' ' A' ' 36' ' ' ALA . 37.7 tp -39.95 -58.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -104.59 66.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.98 123.29 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.59 37.68 93.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.5 m -119.4 108.79 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.545 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 4.4 mtt180 -91.88 109.26 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.616 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.6 mp -110.3 154.47 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.689 ' HB3' HG22 ' A' ' 81' ' ' VAL . 4.0 t80 -118.07 123.49 45.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.79 HD22 HD23 ' A' ' 59' ' ' LEU . 91.9 mt -89.56 129.74 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.54 139.09 45.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . 93.75 -68.91 1.47 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE1' ' CA ' ' A' ' 84' ' ' GLY . 30.3 m-85 -37.52 154.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -153.03 -68.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.96 -145.03 0.47 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -44.16 -45.0 8.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.704 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -42.85 -47.93 5.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.58 HD12 HD13 ' A' ' 48' ' ' LEU . 35.9 tp -71.94 -63.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -35.49 -40.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' ARG . 14.1 mmtt -55.67 -69.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.79 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -41.99 -48.34 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -48.62 -41.58 31.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LYS . 85.3 mtt180 -75.9 -35.38 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.888 ' HG ' HG23 ' A' ' 31' ' ' VAL . 2.7 mp -67.39 -69.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' LEU . 15.8 mt -37.29 -56.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -47.63 85.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' LEU . 9.4 t -55.19 -29.44 57.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -92.01 -15.9 52.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.52 -16.62 54.78 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.88 161.2 5.01 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 t -111.38 116.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 101.55 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 1.1 m-30 -76.55 121.95 23.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -74.81 -17.41 60.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -129.75 152.9 48.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.689 HD22 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -98.35 162.11 13.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.584 ' H ' HD23 ' A' ' 74' ' ' LEU . 1.2 p-10 157.47 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -64.36 93.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 165.91 -34.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.528 HG21 ' HG ' ' A' ' 74' ' ' LEU . 51.1 t -54.83 115.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 50.4 p -85.89 -19.48 30.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.616 ' HB2' HG23 ' A' ' 46' ' ' ILE . 23.0 m80 -155.25 161.68 41.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.732 HG11 HD21 ' A' ' 90' ' ' LEU . 40.6 t -140.18 96.24 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.633 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.3 mm -78.57 108.64 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 86' ' ' TYR . 82.9 t -93.71 131.13 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.581 ' CA ' ' CE1' ' A' ' 51' ' ' PHE . . . -94.1 -40.68 4.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -133.54 -47.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.75 ' O ' HG13 ' A' ' 83' ' ' VAL . 2.9 m-85 -151.21 176.78 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' HB3' HG22 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -144.29 75.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' GLU . 58.7 m-20 -82.88 -48.15 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.2 OUTLIER -37.79 -39.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.732 HD21 HG11 ' A' ' 81' ' ' VAL . 4.1 mm? -47.9 -54.53 12.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' LEU . 19.7 mttt -38.39 -56.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.89 -53.73 24.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.689 ' CD2' HD22 ' A' ' 74' ' ' LEU . 14.9 t80 -64.3 -32.61 74.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.581 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 26.2 m0 -74.38 -11.55 60.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -101.61 -0.32 34.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.228 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -110.61 -83.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -96.47 158.16 15.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.5 98.42 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -163.81 136.3 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.79 100.54 46.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.54 8.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -86.95 102.33 14.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.652 HG13 ' CG2' ' A' ' 83' ' ' VAL . 71.0 t -88.89 96.47 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.669 HG11 ' HB3' ' A' ' 121' ' ' GLU . 28.4 m -122.99 175.74 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.3 150.63 17.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.785 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.39 -36.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -38.89 -43.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.595 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 49.8 t90 -63.82 -64.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.561 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -38.96 -52.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.7 mt -50.46 -64.47 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.5 mm-40 -47.41 -41.07 19.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 31.2 m -53.84 -56.79 14.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CE2' HD22 ' A' ' 109' ' ' LEU . 37.0 m-85 -68.63 -38.19 80.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -61.9 -41.87 98.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.14 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.739 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.2 mmtt -79.86 -25.98 40.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.71 -11.53 66.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.78 ' CE2' HD23 ' A' ' 119' ' ' LEU . 9.1 p90 -140.37 149.16 42.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.477 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 60.7 mtp -59.88 140.76 56.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.78 HD23 ' CE2' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -116.29 177.15 4.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.454 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 9.8 m -62.88 144.56 56.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.669 ' HB3' HG11 ' A' ' 104' ' ' VAL . 0.8 OUTLIER -95.89 -10.14 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 21.4 mt-10 -66.53 -42.87 49.36 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.93 2.83 6.15 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.555 ' O ' HG12 ' A' ' 104' ' ' VAL . 97.3 m-85 -140.23 42.48 1.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 25.7 mm -84.9 145.59 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.64 ' HB3' HG12 ' A' ' 103' ' ' VAL . 3.6 t-80 -106.5 110.77 23.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.614 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.4 173.18 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.04 114.72 4.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.91 2.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.773 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 131' ' ' SER . 4.8 m -141.05 -53.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 130' ' ' SER . 3.3 m 78.45 -59.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -166.49 117.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.01 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -97.19 170.61 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.89 179.06 31.23 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -165.23 167.18 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -126.01 148.07 49.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.74 84.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.7 p -115.58 89.18 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -102.88 127.98 49.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m 64.48 114.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -139.39 144.27 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.2 m -98.13 153.98 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.354 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -142.5 114.1 7.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.9 p -161.73 97.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.79 175.47 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -50.23 170.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 t -42.44 97.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.972 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ASN . 1.6 ttpm? -165.51 108.16 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.01 -166.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.47 149.6 55.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.651 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -75.03 62.75 5.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.53 HG23 ' HB3' ' A' ' 20' ' ' GLU . 73.4 p -117.03 152.96 33.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -43.08 -58.89 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.13 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -76.12 57.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.401 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 21.2 tp -96.74 -27.46 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.66 -42.91 70.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -96.14 36.36 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.651 HD13 ' HA ' ' A' ' 21' ' ' PRO . 9.4 tp -92.32 158.84 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.453 ' H ' HD12 ' A' ' 29' ' ' LEU . 19.3 t0 -120.41 84.65 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.94 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -53.45 -23.37 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -20.34 59.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.47 73.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.784 ' CE2' HD21 ' A' ' 62' ' ' LEU . 38.5 m-85 -45.73 119.11 2.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 13.2 tt0 -90.23 -0.91 57.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.66 168.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 159.43 41.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' SER . 28.0 mt-10 -76.13 -3.32 35.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -123.95 21.42 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.406 HD13 ' HD2' ' A' ' 37' ' ' PRO . 51.3 tp -40.46 -59.16 1.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -102.36 54.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.51 131.3 49.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.63 42.46 20.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.26 109.32 13.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 3.7 mtm-85 -91.13 111.19 22.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.7 mp -110.68 151.37 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CZ ' HD12 ' A' ' 74' ' ' LEU . 9.9 t80 -114.34 120.16 39.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.871 HD22 HD23 ' A' ' 59' ' ' LEU . 44.9 mt -82.73 120.65 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.616 ' SG ' HG13 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -124.09 130.75 53.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 108.351 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.33 63.1 3.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' O ' HD22 ' A' ' 56' ' ' LEU . 22.0 m-85 -153.16 128.97 10.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.54 133.32 4.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.962 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.37 -111.56 4.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 mtt85 -90.54 -49.99 6.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -45.76 -42.03 11.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 51' ' ' PHE . 9.5 tp -71.22 -68.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 56' ' ' LEU . 2.5 t0 -34.6 -47.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -52.1 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.871 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.29 -48.95 24.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 10.8 mtm180 -47.79 -43.8 27.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -73.62 -41.29 62.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.94 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.3 mp -58.48 -67.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.41 HG13 HD21 ' A' ' 109' ' ' LEU . 17.2 mt -40.89 -54.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -45.51 90.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 19.4 t -55.65 -37.44 68.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -87.38 0.39 85.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.88 -13.92 54.64 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -51.85 160.75 2.16 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 t -112.65 116.16 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.429 ' HD2' HD12 ' A' ' 48' ' ' LEU . 20.1 ttp-105 -80.8 105.35 11.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.485 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -79.92 124.02 28.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -75.79 -16.45 60.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -126.57 167.97 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.679 HD23 ' H ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -107.98 160.86 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.679 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER 170.23 -176.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.07 -16.09 63.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.25 -44.31 72.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.8 t -43.93 128.65 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.532 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.4 p -105.81 -9.99 16.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.686 ' HB2' HG23 ' A' ' 46' ' ' ILE . 26.7 m80 -158.95 157.2 30.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.738 HG11 HD21 ' A' ' 90' ' ' LEU . 36.1 t -137.01 99.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 1.2 mm -81.53 103.97 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.719 ' CG2' HG13 ' A' ' 103' ' ' VAL . 49.0 t -86.21 122.83 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.41 -47.24 3.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.545 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 1.5 t0 -122.74 -46.35 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 8.1 p90 -164.45 153.75 13.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.548 ' OD1' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -112.75 85.67 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' LYS . 86.8 m-20 -93.51 -52.33 4.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -37.58 -36.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.738 HD21 HG11 ' A' ' 81' ' ' VAL . 2.8 mm? -50.65 -52.06 43.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' ASP . 13.3 mttt -38.69 -53.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -55.48 -54.53 42.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CD2' HD22 ' A' ' 74' ' ' LEU . 20.1 t80 -57.26 -43.82 83.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.581 ' CZ3' ' HB3' ' A' ' 90' ' ' LEU . 16.3 m0 -63.8 -27.42 69.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.11 -10.02 59.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.89 -83.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 63.0 m -95.64 157.73 15.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.52 98.92 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -155.4 149.37 25.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.566 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -125.46 90.46 50.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 166.66 28.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -78.32 101.79 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.631 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.719 HG13 ' CG2' ' A' ' 83' ' ' VAL . 97.1 t -90.2 96.88 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 124' ' ' TYR . 35.4 m -124.8 178.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.37 151.54 17.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.615 ' HB3' HD22 ' A' ' 23' ' ' LEU . . . -42.58 -37.95 1.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' ALA . 16.1 tttt -38.68 -48.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.554 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 54.2 t90 -52.42 -67.45 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 109' ' ' LEU . 10.6 tp -40.02 -59.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.404 HD23 HD22 ' A' ' 62' ' ' LEU . 42.1 mt -39.91 -62.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 1.9 mm-40 -55.38 -41.86 73.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 43.2 m -52.21 -51.2 59.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.522 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 24.0 m-85 -71.97 -43.96 64.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.0 t -56.53 -39.38 73.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.726 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.4 mmtt -80.89 -25.46 37.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.441 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 94.61 -11.15 70.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.808 ' CE2' HD23 ' A' ' 119' ' ' LEU . 11.7 p90 -139.46 148.24 42.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 75.6 mtp -59.98 137.66 58.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.808 HD23 ' CE2' ' A' ' 117' ' ' TYR . 0.7 OUTLIER -111.56 176.92 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.454 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 2.6 p -62.04 147.02 48.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 125' ' ' ILE . 3.7 mt-10 -95.66 -11.16 27.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 18.9 mt-10 -65.7 -43.76 61.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.98 11.59 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.524 ' O ' HG12 ' A' ' 104' ' ' VAL . 96.6 m-85 -149.85 43.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 26.1 mm -90.49 149.84 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.429 ' HB3' HG12 ' A' ' 103' ' ' VAL . 1.9 t-80 -114.04 107.49 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 t -112.56 172.82 6.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -124.15 107.97 1.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 130' ' ' SER . 18.4 Cg_endo -74.98 -42.26 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 129' ' ' PRO . 0.5 OUTLIER 41.99 92.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.17 131.63 50.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -147.39 153.86 40.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -164.91 166.81 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.33 -164.56 18.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -178.91 147.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 110.01 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.39 156.48 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.6 165.71 16.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.82 169.22 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -139.11 79.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.312 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 p -166.67 79.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.89 112.81 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 p -145.9 149.76 34.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.329 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -142.92 138.92 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.93 103.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.25 158.54 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -147.25 119.65 8.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -43.46 125.8 4.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.3 124.69 47.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp 60.43 150.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -56.18 144.76 59.18 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.4 Cg_endo -74.97 58.59 4.92 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 p -96.27 173.91 7.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.713 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -63.47 -63.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.23 -56.52 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -88.14 58.82 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.873 HD12 HD23 ' A' ' 29' ' ' LEU . 50.8 tp -98.05 -35.28 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.587 1.179 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -65.8 -48.64 71.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -73.49 -28.93 62.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.873 HD23 HD12 ' A' ' 26' ' ' LEU . 2.0 tp -46.15 141.28 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.0 t0 -108.12 93.58 4.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.804 HG23 ' HG ' ' A' ' 62' ' ' LEU . 1.7 p -52.44 -35.92 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -64.25 -10.9 26.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -73.58 -46.7 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.797 ' CE2' HD21 ' A' ' 62' ' ' LEU . 52.9 m-85 -48.61 126.47 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -92.22 4.79 52.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.73 167.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.95 167.63 26.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -86.5 10.78 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.33 22.56 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 116' ' ' GLY . 54.2 tp -41.76 -67.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.872 HD11 HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -93.29 54.24 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.64 128.08 34.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.97 40.29 72.43 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.6 m -123.26 114.73 20.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' CD ' ' CE1' ' A' ' 71' ' ' PHE . 9.9 mtm-85 -95.58 111.32 23.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.502 HG21 ' CG1' ' A' ' 82' ' ' ILE . 1.5 mp -111.31 156.58 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.721 ' HB3' HG22 ' A' ' 81' ' ' VAL . 70.6 t80 -120.2 123.25 42.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.945 HD22 HD23 ' A' ' 59' ' ' LEU . 97.0 mt -92.52 129.77 38.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -145.27 139.08 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.58 69.05 1.42 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.68 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 7.2 m-85 -147.48 -78.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.415 ' N ' ' HB2' ' A' ' 56' ' ' LEU . 4.0 p 53.33 173.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.84 -157.72 15.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -55.51 -46.35 76.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.2 -50.0 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.486 HD12 HD13 ' A' ' 48' ' ' LEU . 27.5 tp -66.15 -57.22 8.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.46 -42.12 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ARG . 46.6 mmtt -55.16 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.945 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -42.19 -48.84 4.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -49.41 -40.41 36.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' LYS . 77.6 mtt180 -78.52 -40.67 34.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.84 HD23 ' CD2' ' A' ' 113' ' ' PHE . 1.0 OUTLIER -60.88 -65.82 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.457 HG13 HD21 ' A' ' 109' ' ' LEU . 16.5 mt -39.3 -54.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.85 -45.14 82.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -58.67 -23.5 59.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -97.92 -14.84 38.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.65 -15.77 61.43 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.22 167.83 0.82 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.2 t -118.14 117.92 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.503 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.46 105.58 9.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.446 ' CE1' ' CD ' ' A' ' 45' ' ' ARG . 1.3 m-85 -79.68 129.56 34.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.49 ' OD1' ' CZ ' ' A' ' 70' ' ' ARG . 2.2 m120 -96.15 10.42 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -143.13 149.65 38.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -93.26 122.23 35.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -154.28 -177.22 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -74.14 -26.84 60.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -57.07 -34.86 68.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.48 130.23 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.454 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 50.2 p -105.15 -14.63 15.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.481 ' HB2' HG23 ' A' ' 46' ' ' ILE . 21.2 m80 -155.95 159.04 38.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.768 HG11 ' CD1' ' A' ' 90' ' ' LEU . 44.7 t -138.97 104.71 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.693 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.1 mm -85.6 112.69 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.595 ' CG2' HG13 ' A' ' 103' ' ' VAL . 44.4 t -101.87 138.5 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.9 -44.92 1.69 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 3.8 m-20 -124.46 -45.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 11.0 p90 -167.74 165.15 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' OD2' HD13 ' A' ' 90' ' ' LEU . 15.6 p-10 -130.55 100.06 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' GLU . 9.5 m-20 -93.73 -54.61 3.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' ASP . 2.6 tt0 -38.23 -45.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.768 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -44.97 -57.27 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -40.07 -44.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.74 -46.65 81.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.46 ' CG ' HD12 ' A' ' 74' ' ' LEU . 11.9 t80 -64.1 -25.79 68.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.576 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 5.9 m0 -75.43 -23.16 56.93 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -90.93 -7.85 50.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -99.74 -72.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.406 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 68.5 m -103.69 157.8 16.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -99.74 99.3 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -162.15 149.27 13.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.564 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -121.2 91.3 48.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.66 30.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.406 ' CB ' ' OE1' ' A' ' 121' ' ' GLU . 21.0 m-70 -83.4 102.52 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.592 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.645 HG12 ' HB3' ' A' ' 126' ' ' HIS . 94.5 t -91.49 94.6 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 124' ' ' TYR . 27.2 m -120.68 174.63 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.77 149.72 18.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.713 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.56 -37.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' ALA . 6.0 tttm -38.34 -41.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 124' ' ' TYR . 50.0 t90 -63.32 -69.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.872 HD11 HD11 ' A' ' 41' ' ' LEU . 17.5 tp -41.56 -48.42 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 mt -48.58 -63.52 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.5 mm-40 -51.11 -44.66 61.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 73.4 m -51.06 -59.61 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.84 ' CD2' HD23 ' A' ' 62' ' ' LEU . 23.6 m-85 -63.47 -7.47 6.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.48 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.69 -41.77 11.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.2 OUTLIER -87.48 -25.2 23.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.66 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 97.75 -12.51 64.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.751 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.5 p90 -129.54 145.72 51.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 70.5 mtp -60.35 143.95 51.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.751 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -117.14 176.82 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.44 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 23.5 m -64.0 147.06 52.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.543 ' CB ' HG11 ' A' ' 104' ' ' VAL . 29.5 mt-10 -95.48 -19.45 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 21.0 mt-10 -55.79 -44.22 99.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.12 5.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.576 ' O ' HG12 ' A' ' 104' ' ' VAL . 97.6 m-85 -141.76 44.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 31.1 mm -87.87 149.52 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.645 ' HB3' HG12 ' A' ' 103' ' ' VAL . 5.0 t-80 -111.53 107.66 16.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 62.5 m -114.48 150.43 34.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -88.36 -163.41 39.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.95 13.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.441 1.758 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.47 155.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 p -138.92 117.08 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 p -124.28 108.01 11.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.04 79.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.06 -149.13 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.549 1.155 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 p -163.64 157.61 19.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 m -66.24 -64.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.47 -91.07 0.59 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p 71.63 153.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.36 97.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.05 164.54 15.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 tt -60.53 124.85 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -147.68 161.26 41.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.319 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -53.84 162.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 t -156.49 140.1 15.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.04 138.71 19.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 64.28 79.92 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -154.24 109.55 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -72.38 133.95 45.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD13 ' ND2' ' A' ' 28' ' ' ASN . 9.3 mp -87.69 -170.14 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.544 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -62.06 149.54 86.04 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 1.009 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo -75.0 70.64 5.25 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.544 HG23 ' HB3' ' A' ' 20' ' ' GLU . 71.5 p -122.62 165.53 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.136 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -62.27 -62.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -42.58 -26.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 23' ' ' LEU . 1.3 m-20 -120.0 58.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -86.14 -35.96 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -66.87 -35.53 80.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.452 ' ND2' HD13 ' A' ' 19' ' ' LEU . 1.6 t30 -105.48 38.18 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.009 HD13 ' HA ' ' A' ' 21' ' ' PRO . 14.2 tp -100.66 136.99 39.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' H ' HD12 ' A' ' 29' ' ' LEU . 50.6 t0 -97.96 98.03 9.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.977 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -69.44 -19.36 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.62 6.22 32.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.474 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -92.7 -44.46 8.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.975 ' CE2' HD21 ' A' ' 62' ' ' LEU . 65.8 m-85 -47.66 118.62 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 17.7 tt0 -87.57 -2.43 58.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.654 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.3 169.91 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.95 157.4 43.01 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 65' ' ' SER . 4.4 mt-10 -74.36 -2.29 24.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.02 27.71 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.502 HD23 ' CE1' ' A' ' 113' ' ' PHE . 38.5 tp -46.49 -62.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -101.08 41.17 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -46.27 128.38 9.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.06 42.45 39.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.7 m -119.21 110.19 16.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 5.3 mtt-85 -93.21 109.54 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.513 HG21 ' CG1' ' A' ' 82' ' ' ILE . 1.6 mt -110.29 140.86 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.735 ' CZ ' HD12 ' A' ' 74' ' ' LEU . 27.9 t80 -94.91 114.66 26.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.069 HD22 HD13 ' A' ' 59' ' ' LEU . 63.9 mt -84.31 116.61 23.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' PHE . 4.4 t -117.9 163.68 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.317 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.08 -65.52 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.682 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 18.6 m-85 -37.46 140.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 t -156.41 -49.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.039 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.84 -116.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -81.14 -43.5 19.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.813 ' HB3' HD13 ' A' ' 26' ' ' LEU . 3.2 mttt -40.04 -40.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.539 HD12 HD13 ' A' ' 48' ' ' LEU . 18.2 tp -71.8 -64.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' LEU . 8.6 t0 -39.85 -45.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 29' ' ' LEU . 24.6 mmtt -56.65 -61.91 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.069 HD13 HD22 ' A' ' 48' ' ' LEU . 71.0 mt -48.81 -50.91 32.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG2' ' CD ' ' A' ' 70' ' ' ARG . 63.2 mtp180 -43.71 -26.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 59' ' ' LEU . 91.7 mtt180 -92.51 -39.39 11.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.977 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -64.56 -63.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.849 HD11 HD21 ' A' ' 48' ' ' LEU . 3.2 mt -48.63 -31.17 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.03 -47.16 16.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -53.85 -48.09 70.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -72.32 -2.08 53.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.31 -15.57 53.35 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -48.42 172.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.94 113.39 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.722 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -76.03 120.04 20.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -103.38 124.64 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -78.19 -18.73 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -119.41 164.45 15.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.735 HD12 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -105.31 158.6 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.433 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER 167.82 173.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -56.57 -16.86 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -70.96 -27.04 63.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.423 HG11 HG22 ' A' ' 81' ' ' VAL . 43.6 t -66.95 125.48 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.559 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 31.9 p -101.65 -12.49 18.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 79' ' ' THR . 23.6 m80 -159.96 143.69 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.923 HG11 HD22 ' A' ' 90' ' ' LEU . 72.7 t -122.18 102.74 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.513 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.5 mm -83.17 100.79 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.02 HG22 ' OD2' ' A' ' 87' ' ' ASP . 87.2 t -82.06 138.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.13 -17.18 5.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -132.54 -69.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.504 ' CG ' ' N ' ' A' ' 87' ' ' ASP . 8.3 p90 -159.02 -40.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.02 ' OD2' HG22 ' A' ' 83' ' ' VAL . 6.2 m-20 68.1 110.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.411 ' HB2' ' CE2' ' A' ' 86' ' ' TYR . 1.8 t0 -94.42 -45.2 7.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' GLN . 2.3 tt0 -44.87 -41.64 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.923 HD22 HG11 ' A' ' 81' ' ' VAL . 1.1 tp -46.6 -35.65 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -71.31 -41.78 69.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -67.6 -47.84 68.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.48 ' CG ' HD22 ' A' ' 74' ' ' LEU . 32.4 t80 -56.17 -30.67 62.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -71.56 -20.89 61.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 107.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -6.14 42.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -99.55 -82.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.8 m -93.86 157.84 15.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.961 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.16 98.9 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -164.06 153.12 13.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.633 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.25 89.49 51.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.361 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.448 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.94 155.78 43.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.438 1.757 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -71.59 101.6 2.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.562 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.852 HG22 HD21 ' A' ' 90' ' ' LEU . 46.7 t -87.78 94.72 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 121' ' ' GLU . 33.3 m -129.41 179.29 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -107.1 150.52 16.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 1.136 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.17 -37.35 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.734 ' H ' HD23 ' A' ' 23' ' ' LEU . 7.9 tttt -39.72 -43.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 36.2 t90 -57.96 -65.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 41' ' ' LEU . 18.2 tp -40.74 -58.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.584 HD22 HD21 ' A' ' 29' ' ' LEU . 23.9 mt -39.12 -59.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 1.2 mm-40 -57.18 -39.02 74.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 34.3 m -54.44 -50.21 68.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.557 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 28.5 m-85 -74.68 -43.13 56.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.3 t -56.59 -40.19 74.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.752 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.6 mmtt -80.61 -25.77 38.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.431 ' HA2' ' CB ' ' A' ' 36' ' ' ALA . . . 98.18 -13.72 63.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.731 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.1 p90 -139.45 150.61 45.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 37.3 mtp -61.1 140.08 57.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.752 HD11 ' HG3' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -113.71 177.01 4.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.464 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 52.9 m -61.7 143.23 56.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.058 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.564 ' HB3' HG11 ' A' ' 104' ' ' VAL . 0.7 OUTLIER -95.97 -10.99 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 26.5 mt-10 -66.62 -43.04 49.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.6 Cg_endo -74.94 3.02 5.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.462 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 80.0 m-85 -136.56 38.03 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 18.3 mm -83.59 149.24 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -113.88 116.79 29.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.88 -67.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 170.46 -118.13 0.74 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -55.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.4 119.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.23 148.6 50.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -146.17 168.2 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -48.97 169.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.049 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 -156.09 32.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.2 p -165.26 168.96 16.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -167.98 146.64 4.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.55 159.96 24.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -59.23 100.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.985 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.5 mt-10 -154.79 151.56 28.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 m -56.45 112.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 9' ' ' GLU . 1.1 pp -130.08 151.91 36.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.07 139.32 42.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -132.1 156.52 46.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.6 145.53 24.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -67.01 161.8 23.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -152.55 154.02 34.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 t 61.12 54.5 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -43.15 111.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER 61.03 145.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.538 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -47.14 148.62 1.98 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.24 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 67.81 5.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.538 HG23 ' HB3' ' A' ' 20' ' ' GLU . 71.0 p -116.47 173.39 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.835 ' CD1' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -71.11 -54.03 12.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -40.48 -30.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' LEU . 2.1 m-80 -129.0 51.4 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 26' ' ' LEU . 11.1 tp -77.61 -35.84 52.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -74.06 -15.43 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -107.35 -8.86 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.988 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.9 128.18 34.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.756 ' N ' HD22 ' A' ' 29' ' ' LEU . 13.9 t70 -89.1 94.01 9.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.764 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.4 p -51.85 -34.92 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -63.22 -14.56 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -69.51 -47.65 63.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.618 ' CE2' HD21 ' A' ' 62' ' ' LEU . 55.2 m-85 -46.99 122.24 4.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -92.8 1.89 57.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -46.08 168.22 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.03 159.22 41.5 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.87 -0.08 22.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -126.71 18.87 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.474 HD22 ' HB1' ' A' ' 36' ' ' ALA . 36.9 tp -39.4 -52.39 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' ' CA ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -109.61 66.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -73.72 128.31 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.53 41.81 49.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.9 m -118.4 118.29 31.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 71' ' ' PHE . 38.9 mtm-85 -97.56 109.75 22.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 80' ' ' HIS . 2.4 mt -113.49 154.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.785 ' CE2' HD12 ' A' ' 74' ' ' LEU . 4.5 t80 -119.04 119.04 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.896 HD22 HD23 ' A' ' 59' ' ' LEU . 68.4 mt -84.72 129.6 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.77 140.98 34.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 108.292 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.8 40.49 57.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.528 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 27.7 m-85 -139.3 132.79 30.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.0 p -160.03 139.74 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.79 -118.37 5.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -52.43 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -41.52 -55.98 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' ASP . 8.3 tp -60.12 -61.2 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -39.67 -46.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' HD12 ' A' ' 62' ' ' LEU . 67.5 mmtt -56.63 -68.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.896 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.01 -43.32 19.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -54.32 -36.26 63.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -81.14 -34.87 32.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.225 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.764 ' HG ' HG23 ' A' ' 31' ' ' VAL . 2.5 mp -63.05 -68.58 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.441 HG13 HD21 ' A' ' 109' ' ' LEU . 5.4 mt -38.77 -55.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -59.18 -44.65 92.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 45.1 t -60.29 -21.65 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -101.56 -13.1 33.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.6 -12.1 67.88 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -53.42 155.0 6.54 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t -100.57 109.4 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -75.78 101.1 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CZ ' ' HD2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -78.06 123.58 27.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -76.34 -14.6 60.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -132.64 172.33 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.785 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -107.98 168.95 8.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.54 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.6 OUTLIER 166.22 -174.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -73.4 -3.25 26.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -43.82 15.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG11 HG22 ' A' ' 81' ' ' VAL . 78.4 t -45.55 131.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.55 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 72.7 p -105.42 -16.16 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.595 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 1.7 m80 -161.19 142.39 11.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.005 HG11 HD12 ' A' ' 90' ' ' LEU . 25.6 t -124.0 107.43 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.513 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.3 mm -75.75 102.46 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.587 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 72.8 t -95.34 114.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.16 -71.53 1.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -106.22 -34.75 7.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -176.26 164.33 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.45 ' HB3' HG22 ' A' ' 83' ' ' VAL . 5.0 p-10 -131.06 117.39 19.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -92.62 -56.64 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -42.32 -50.29 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.005 HD12 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -47.78 -60.45 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' LEU . 77.3 mttt -38.69 -41.42 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -46.8 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.535 ' CD2' HD22 ' A' ' 74' ' ' LEU . 49.5 t80 -60.3 -23.41 64.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.591 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 6.2 m0 -74.01 -12.99 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 108.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -117.05 11.3 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -107.78 -77.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.8 m -105.39 158.12 16.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.2 97.34 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -162.68 152.75 16.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.611 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.11 90.79 50.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.663 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.99 139.72 24.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.595 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 81.0 m-70 -62.54 99.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.447 HG13 ' H ' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -88.68 121.26 38.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 124' ' ' TYR . 26.8 m -147.29 175.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.35 150.06 18.0 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.835 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -42.04 -36.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 110' ' ' LEU . 8.1 tttt -41.51 -45.6 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.599 ' CZ3' ' OE2' ' A' ' 121' ' ' GLU . 58.1 t90 -55.11 -68.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.441 HD21 HG13 ' A' ' 63' ' ' ILE . 12.7 tp -39.77 -51.11 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 107' ' ' LYS . 74.8 mt -49.27 -56.45 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.7 mm-40 -60.55 -35.89 77.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.572 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 30.8 m -58.04 -58.77 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.524 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 35.8 m-85 -67.43 -33.54 75.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.4 t -65.63 -43.32 89.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.775 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.1 mmtt -79.86 -19.66 47.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.412 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 89.0 -13.06 64.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.865 ' CE2' HD23 ' A' ' 119' ' ' LEU . 21.3 p90 -136.58 138.04 40.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 85.3 mtp -54.07 134.52 43.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.865 HD23 ' CE2' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -106.88 176.6 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.462 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 60.6 m -60.52 141.73 56.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.599 ' OE2' ' CZ3' ' A' ' 108' ' ' TRP . 2.6 mt-10 -96.06 -12.68 24.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 23.5 mt-10 -67.36 -44.24 45.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.96 2.1 6.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.515 ' O ' HG12 ' A' ' 104' ' ' VAL . 76.2 m-85 -137.03 37.54 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 11.3 mm -78.52 135.92 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.587 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 5.7 t60 -99.02 107.02 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.644 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.8 p -115.02 -70.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -171.61 -145.73 4.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 163.79 34.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.46 157.38 8.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.65 163.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 t -168.23 95.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.15 167.85 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.94 -105.5 0.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.9 p -163.16 131.17 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 0.739 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -95.15 170.24 9.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 110.008 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.3 119.32 3.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.6 p -140.45 144.54 36.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 110.033 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.73 129.19 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.3 p -172.32 147.97 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 tp -115.89 136.56 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -124.05 153.12 41.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 108.249 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -123.84 151.33 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.9 t -122.49 133.37 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.99 169.25 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -55.95 100.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.7 145.82 21.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.29 145.7 34.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mt -154.25 164.55 38.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.582 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -50.59 149.76 5.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 67.57 5.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.564 1.823 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.582 HG23 ' HB3' ' A' ' 20' ' ' GLU . 32.5 p -109.05 164.07 12.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.908 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -59.64 -54.47 46.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.5 -52.92 33.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -88.93 54.39 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.954 HD12 HD23 ' A' ' 29' ' ' LEU . 29.2 tp -97.2 -27.55 14.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -77.61 -44.34 28.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -81.11 -10.26 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.954 HD23 HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -65.88 141.92 58.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 18.6 t0 -103.38 94.11 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.783 HG23 ' HG ' ' A' ' 62' ' ' LEU . 1.5 p -55.68 -34.76 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -10.53 35.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.28 -47.81 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 29' ' ' LEU . 63.7 m-85 -50.09 130.28 22.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -98.67 10.16 41.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -49.98 169.78 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.07 166.0 30.03 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -83.39 3.01 33.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -134.46 23.21 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.832 HD13 ' O ' ' A' ' 116' ' ' GLY . 44.1 tp -38.93 -67.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -87.78 54.88 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.44 117.86 14.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.41 33.51 77.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.0 m -125.98 105.53 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.473 ' HA ' HG12 ' A' ' 69' ' ' VAL . 73.1 mtm180 -89.43 112.07 23.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.591 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.6 mp -103.72 163.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.731 ' HD2' HG13 ' A' ' 81' ' ' VAL . 55.4 t80 -126.26 113.96 17.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.876 HD22 HD23 ' A' ' 59' ' ' LEU . 67.8 mt -82.22 130.16 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -147.38 108.72 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.248 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.64 52.95 1.08 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.456 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 44.7 m-85 -151.08 132.15 14.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.2 t -163.42 148.58 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.964 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.48 -102.5 2.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.74 -54.64 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -40.55 -46.11 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 51' ' ' PHE . 3.4 tp -67.01 -63.07 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -38.41 -36.21 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 44.4 mmtt -64.24 -67.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.876 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -46.04 -34.99 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.464 ' HG2' ' CD ' ' A' ' 70' ' ' ARG . 3.4 mtt-85 -62.17 -43.59 98.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -76.73 -38.21 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.783 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -63.07 -67.25 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.532 HG21 ' O ' ' A' ' 69' ' ' VAL . 28.2 mt -39.64 -54.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -57.62 -43.52 84.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' LEU . 12.7 t -60.16 -23.04 63.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -104.1 -6.52 42.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.22 -9.57 66.43 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -56.49 171.85 2.18 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.532 ' O ' HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -101.77 169.35 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.694 ' HG3' HD12 ' A' ' 48' ' ' LEU . 49.0 ttp85 -136.72 85.16 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.476 ' CE1' HG11 ' A' ' 69' ' ' VAL . 3.2 m-85 -82.66 157.4 23.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -120.66 -0.32 10.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -127.2 146.38 50.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.646 HD22 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -87.57 122.91 31.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.423 ' ND2' HG23 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -147.01 -173.39 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -80.82 -27.26 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -33.51 72.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.423 HG23 ' ND2' ' A' ' 75' ' ' ASN . 65.4 t -55.33 124.24 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.476 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 52.6 p -103.05 -11.21 18.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.41 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.591 ' HB2' HG23 ' A' ' 46' ' ' ILE . 38.1 m80 -155.12 152.62 29.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.731 HG13 ' HD2' ' A' ' 47' ' ' TYR . 54.3 t -134.2 104.84 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.506 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.1 mm -85.12 109.45 18.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.649 ' CG2' HG13 ' A' ' 103' ' ' VAL . 19.5 t -98.08 121.23 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -88.54 -42.98 5.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.29 -44.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -167.59 173.38 8.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -142.47 106.82 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.61 -49.34 5.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.0 OUTLIER -41.89 -52.97 3.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.725 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -40.95 -58.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LEU . 50.7 mttt -39.38 -39.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -73.52 -45.87 51.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' LEU . 40.6 t80 -62.28 -29.12 70.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.492 ' CH2' HD22 ' A' ' 90' ' ' LEU . 2.6 m0 -72.21 -17.95 61.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -102.89 7.69 39.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -111.59 -82.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 m -97.41 157.8 15.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.54 98.53 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -159.41 150.2 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.613 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -120.06 91.05 45.29 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.03 39.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.49 ' CG ' ' OE1' ' A' ' 121' ' ' GLU . 16.4 m-70 -85.05 102.03 12.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.643 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.649 HG13 ' CG2' ' A' ' 83' ' ' VAL . 93.7 t -90.98 110.65 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 124' ' ' TYR . 28.5 m -138.54 172.98 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.48 151.86 19.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.908 ' HB3' HD22 ' A' ' 23' ' ' LEU . . . -42.09 -38.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 106' ' ' ALA . 12.3 tttt -39.78 -33.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.456 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 62.2 t90 -67.03 -69.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 41' ' ' LEU . 15.5 tp -41.0 -48.83 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.629 HD22 HD21 ' A' ' 29' ' ' LEU . 74.8 mt -50.18 -62.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 3.6 mm-40 -52.17 -42.69 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.456 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 74.7 m -52.46 -56.08 17.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.75 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -67.69 -5.42 15.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.534 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.22 -42.9 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -85.29 -26.32 26.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.832 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 106.68 -18.65 37.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -128.55 168.73 15.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 26.6 mtp -73.02 144.54 47.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.596 HD21 ' HD3' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -112.36 177.31 4.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.469 ' HB2' ' CG ' ' A' ' 123' ' ' PRO . 72.4 m -67.68 150.29 48.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.49 ' OE1' ' CG ' ' A' ' 102' ' ' HIS . 3.4 mt-10 -95.72 -31.32 13.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 19.5 mt-10 -50.97 -45.79 87.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -74.99 2.39 6.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.682 ' O ' HG12 ' A' ' 104' ' ' VAL . 55.3 m-85 -141.12 44.71 1.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 29.4 mm -87.11 145.66 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -105.64 109.82 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.6 t -115.91 -48.18 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.04 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 168.4 156.04 10.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.157 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 63.19 5.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.0 m 56.14 103.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.75 90.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 41.76 90.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -121.48 152.54 39.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.47 178.75 51.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -167.88 148.28 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 110.031 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -93.3 171.96 8.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.87 95.8 1.65 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.5 p -174.83 119.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.13 127.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -78.17 140.86 38.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 tp -47.29 123.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.8 t -176.84 150.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -130.15 136.22 49.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.3 p -153.56 163.98 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -143.53 176.95 8.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.19 153.35 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.39 136.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER 66.74 145.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -38.46 119.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.65 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.94 149.62 53.75 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.724 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.6 Cg_endo -74.94 66.65 5.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.05 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 20' ' ' GLU . 82.0 p -109.24 159.62 16.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -58.01 -53.09 62.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -38.62 -34.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.566 ' CG ' ' HG1' ' A' ' 22' ' ' THR . 4.4 p30 -122.98 50.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.575 ' HB2' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.09 -34.39 56.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 23.8 mt-10 -73.02 -29.61 63.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.01 18.87 21.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 21' ' ' PRO . 9.3 tp -78.79 161.42 26.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.575 ' H ' HD12 ' A' ' 29' ' ' LEU . 22.4 t0 -125.37 87.92 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.947 HG23 ' HG ' ' A' ' 62' ' ' LEU . 6.5 p -54.72 -27.75 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.39 -0.61 20.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -83.96 -45.19 13.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.805 ' CE2' HD21 ' A' ' 62' ' ' LEU . 58.9 m-85 -53.78 131.72 40.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 36' ' ' ALA . 8.6 mm-40 -100.81 0.36 38.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.62 168.05 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.96 159.81 41.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -74.63 -11.24 60.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -115.36 20.51 14.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 116' ' ' GLY . 47.9 tp -39.58 -55.64 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' HB2' ' CA ' ' A' ' 68' ' ' GLY . 0.1 OUTLIER -105.19 51.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.43 129.47 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.41 41.66 48.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.0 m -115.1 120.78 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -103.06 102.55 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.477 ' CG2' HG12 ' A' ' 82' ' ' ILE . 3.7 mt -108.02 157.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.588 ' HD1' HG13 ' A' ' 81' ' ' VAL . 16.5 t80 -123.89 124.01 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.812 HD23 ' HB ' ' A' ' 82' ' ' ILE . 85.9 mt -88.57 145.5 25.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' CB ' ' OD2' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -164.11 149.25 10.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.36 59.71 8.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.571 1.17 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.507 ' CE2' HD23 ' A' ' 59' ' ' LEU . 18.7 m-85 -147.67 -84.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER 52.49 102.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.72 -152.3 16.88 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' CD ' ' HB3' ' A' ' 27' ' ' GLU . 58.7 mtt180 -48.09 -60.08 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.304 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 26' ' ' LEU . 16.1 mttt -42.62 -44.25 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.549 HD12 HD13 ' A' ' 48' ' ' LEU . 53.9 tp -66.85 -69.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 56' ' ' LEU . 19.2 t70 -37.8 -47.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -47.95 -64.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.788 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -50.77 -45.76 59.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -52.82 -39.04 62.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -79.8 -35.68 38.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.947 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -65.57 -67.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.8 HG13 HD21 ' A' ' 109' ' ' LEU . 13.7 mt -40.85 -54.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.55 -41.92 86.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' LEU . 32.5 t -64.46 -15.62 61.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -109.05 -1.88 31.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.88 -12.29 53.73 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -54.25 159.88 4.86 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 71' ' ' PHE . 7.2 t -107.09 110.53 32.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.776 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.449 ' HD2' HD12 ' A' ' 48' ' ' LEU . 1.3 ttp180 -82.93 96.45 8.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.458 ' CD1' HG12 ' A' ' 69' ' ' VAL . 1.3 m-30 -75.3 149.25 38.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -114.63 -3.87 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -118.82 144.32 46.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.649 HD12 ' CG ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -88.69 117.82 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.76 164.16 38.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.35 -18.43 17.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -41.14 98.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.572 HG11 HG22 ' A' ' 81' ' ' VAL . 74.4 t -51.66 132.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.571 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 43.9 p -105.22 -17.38 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.608 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 0.5 OUTLIER -161.82 142.94 10.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.648 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.675 HG23 ' HB2' ' A' ' 101' ' ' PRO . 42.7 t -120.7 106.89 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.812 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.7 mm -75.26 101.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.579 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 60.5 t -98.41 125.99 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.77 -52.9 2.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -120.38 -43.94 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -174.88 154.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.502 ' OD2' ' CB ' ' A' ' 49' ' ' CYS . 4.2 t0 -120.9 112.31 18.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.436 ' OD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.5 m-20 -75.26 -56.9 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -56.98 5.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -40.27 -61.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -41.14 -47.69 3.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -69.44 -52.32 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.649 ' CG ' HD12 ' A' ' 74' ' ' LEU . 45.5 t80 -55.05 -25.86 33.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -72.39 -12.32 61.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -117.65 12.42 14.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -111.26 -76.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.8 m -97.72 157.75 15.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.66 98.29 10.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -165.48 157.88 15.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.586 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -126.47 90.25 50.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.675 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 139.57 24.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.608 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 82.4 m-70 -61.74 99.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.585 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -89.49 116.8 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 121' ' ' GLU . 35.3 m -144.59 176.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.6 149.6 17.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.103 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.928 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -41.73 -37.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.595 ' H ' HD23 ' A' ' 23' ' ' LEU . 11.4 tttt -39.5 -46.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.598 ' CH2' ' OE2' ' A' ' 121' ' ' GLU . 53.2 t90 -54.19 -66.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 107.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.8 HD21 HG13 ' A' ' 63' ' ' ILE . 8.2 tp -39.97 -53.72 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' SER . 30.6 mt -46.92 -60.38 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.4 mm-40 -55.1 -38.09 67.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.58 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 57.0 m -59.26 -58.27 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.27 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.555 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.6 m-85 -67.36 -24.28 65.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 110' ' ' LEU . 18.5 t -76.4 -39.65 53.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.847 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.7 mmtt -82.18 -25.45 34.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.493 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 97.83 -14.17 63.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.705 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 3.7 p90 -138.63 140.26 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 70.3 mtp -52.83 137.33 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.847 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.7 mt -110.5 175.1 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.481 ' HB2' ' CG ' ' A' ' 123' ' ' PRO . 50.7 m -56.73 139.07 51.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.598 ' OE2' ' CH2' ' A' ' 108' ' ' TRP . 2.9 mt-10 -96.06 -10.05 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.631 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 15.0 mt-10 -70.39 -43.85 17.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.96 3.68 5.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.468 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 69.9 m-85 -137.05 33.24 2.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 5.7 mm -73.62 138.67 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.579 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 7.9 t60 -100.28 105.78 17.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.589 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.3 t -121.73 -71.46 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 153.38 92.53 0.09 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.37 37.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.5 m 68.73 166.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -173.73 131.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -83.91 157.06 22.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.4 113.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.172 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.4 164.24 29.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.27 -58.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -172.85 150.52 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.77 -163.78 13.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t 63.76 90.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 0.798 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.16 127.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.96 -58.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.5 tt -42.93 162.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 p -148.04 152.93 38.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.38 140.65 46.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 98.2 p -106.12 133.54 50.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -174.83 133.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -94.07 94.86 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 1.4 m -168.79 136.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.54 140.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mt -154.58 176.56 12.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.79 157.66 10.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.875 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.4 Cg_endo -74.99 54.93 3.78 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.6 p -102.99 165.29 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.032 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -59.5 -57.6 12.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.43 -22.61 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -121.69 61.32 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.903 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -93.21 -46.26 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.29 -28.73 65.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 17' ' ' SER . 3.3 m-80 -111.53 41.93 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.875 HD13 ' HA ' ' A' ' 21' ' ' PRO . 25.5 tp -100.31 154.8 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.527 ' H ' HD12 ' A' ' 29' ' ' LEU . 63.2 t0 -118.91 83.3 2.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.991 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -52.74 -23.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.03 20.5 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -105.8 -42.8 5.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.653 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 79.4 m-85 -55.26 121.01 7.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -79.22 -1.91 38.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -43.26 164.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 158.8 42.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.567 1.825 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.27 1.46 21.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.87 19.54 7.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 66' ' ' GLY . 45.9 tp -40.97 -59.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -100.91 63.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.14 123.36 25.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.32 37.54 87.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.9 m -123.64 109.72 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -88.62 126.01 35.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.626 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.3 mp -125.9 148.2 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.697 ' HB2' HG21 ' A' ' 78' ' ' VAL . 82.5 t80 -114.53 119.07 35.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' ' 59' ' ' LEU . 44.5 mt -82.11 121.88 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.805 ' SG ' HG13 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -128.6 148.87 50.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 59.29 37.95 92.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.854 ' O ' HD22 ' A' ' 56' ' ' LEU . 20.0 m-85 -137.48 119.21 15.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.98 -66.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.13 -170.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -38.85 -36.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.903 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.5 mttt -41.73 -50.79 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.854 HD22 ' O ' ' A' ' 51' ' ' PHE . 10.6 tp -64.79 -59.88 3.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' LEU . 12.6 t70 -39.17 -51.1 1.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -51.01 -70.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.727 ' HB3' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -40.49 -58.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -39.58 -44.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HB3' HG11 ' A' ' 31' ' ' VAL . 40.9 mtt-85 -73.7 -43.13 60.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.991 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.4 mp -59.56 -67.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 62' ' ' LEU . 36.8 mt -38.33 -56.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -44.89 87.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' LEU . 40.5 t -59.37 -31.78 69.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -83.65 -19.78 61.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.67 -13.02 58.07 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -64.68 161.52 39.49 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 t -107.8 121.87 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -89.56 108.94 19.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.633 ' CZ ' ' CB ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -85.86 115.46 23.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 72' ' ' ASN . 8.6 p-10 -73.67 -8.63 56.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -128.8 138.29 51.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.831 HD21 HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -76.28 120.64 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -150.47 -174.0 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 17.6 mt-10 -82.73 8.47 12.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.633 ' CB ' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -88.09 -47.91 8.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.697 HG21 ' HB2' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -62.04 137.96 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.496 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 69.7 p -111.31 -11.23 14.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.626 ' HB2' HG23 ' A' ' 46' ' ' ILE . 2.0 m80 -138.63 147.68 43.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.805 HG13 ' SG ' ' A' ' 49' ' ' CYS . 24.4 t -128.93 94.3 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.458 HG13 HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -76.82 99.99 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.51 ' CG2' HG13 ' A' ' 103' ' ' VAL . 56.8 t -91.43 127.08 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.46 -52.54 1.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.88 -49.93 3.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.412 ' C ' HG13 ' A' ' 83' ' ' VAL . 7.4 p90 -171.64 170.31 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -122.16 83.38 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -94.33 -27.54 16.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -82.69 -51.74 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.831 HD23 HD21 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -51.46 -21.32 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -72.15 -36.55 69.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.76 -42.43 95.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CD2' HD12 ' A' ' 74' ' ' LEU . 36.7 t80 -61.71 -20.37 63.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.708 ' CH2' HD11 ' A' ' 90' ' ' LEU . 4.9 m0 -76.9 -3.86 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.05 11.36 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -118.62 -79.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.547 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 58.7 m -96.52 158.54 15.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.21 98.65 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.428 ' NE2' ' O ' ' A' ' 78' ' ' VAL . 23.4 t60 -161.13 144.97 13.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.27 89.15 53.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.424 ' HB3' ' HE2' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -74.98 168.32 25.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -85.69 101.5 12.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.559 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.51 HG13 ' CG2' ' A' ' 83' ' ' VAL . 54.1 t -85.52 95.6 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.586 HG11 ' HB3' ' A' ' 121' ' ' GLU . 26.7 m -125.52 178.0 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.04 148.14 17.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 1.032 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -41.43 -37.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.539 ' N ' HD23 ' A' ' 23' ' ' LEU . 10.1 tttm -39.81 -46.79 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 57.1 t90 -54.73 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 41' ' ' LEU . 21.2 tp -39.51 -58.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 70.6 mt -41.61 -55.21 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.475 ' HB2' HD12 ' A' ' 119' ' ' LEU . 2.0 mm-40 -59.98 -35.68 75.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.511 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 46.9 m -58.71 -52.94 63.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.74 ' CD2' HD23 ' A' ' 62' ' ' LEU . 35.0 m-85 -71.67 -25.75 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.0 t -73.82 -47.45 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.78 ' HG3' HD11 ' A' ' 119' ' ' LEU . 3.7 mmtt -74.52 -20.98 59.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.41 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 94.84 -13.34 67.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.554 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 10.3 p90 -137.43 166.39 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.5 mtp -73.66 135.65 43.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.78 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.4 mt -109.03 176.73 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.2 m -63.9 145.04 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.586 ' HB3' HG11 ' A' ' 104' ' ' VAL . 5.5 mp0 -96.51 -22.12 17.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 33.1 mt-10 -56.81 -43.7 99.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.02 3.2 5.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.511 ' O ' HG12 ' A' ' 104' ' ' VAL . 88.6 m-85 -139.19 41.71 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 25.8 mm -87.48 141.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -104.78 106.87 17.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 t -116.1 -56.9 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.034 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.31 -70.48 0.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.96 27.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.7 m -154.62 118.82 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.1 t -151.15 -58.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 134.49 35.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.36 169.3 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.29 -171.12 34.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.55 169.08 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -130.65 170.64 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.86 -174.12 19.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.127 . . . . 0.0 111.07 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -155.6 152.31 28.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 0.759 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.01 158.19 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -93.04 156.6 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -164.65 118.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.7 m -98.83 154.82 17.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -176.72 147.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.1 p -72.55 121.05 19.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.59 98.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 168.18 174.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.1 t -50.83 116.74 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -79.98 112.65 17.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp 60.25 151.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.549 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -63.18 147.72 94.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HB3' HD23 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -75.03 65.81 6.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.549 HG23 ' HB3' ' A' ' 20' ' ' GLU . 71.1 p -122.56 156.59 33.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.936 ' HG ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -54.89 -44.95 74.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -54.88 -18.04 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' ND2' ' OG1' ' A' ' 22' ' ' THR . 31.2 m-20 -131.57 26.22 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.936 HD12 ' HG ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -55.48 -46.56 76.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 24.8 mt-10 -58.45 -37.2 74.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -111.26 42.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -104.86 121.99 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.792 ' N ' HD22 ' A' ' 29' ' ' LEU . 33.0 t0 -73.69 89.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.96 HG23 ' HG ' ' A' ' 62' ' ' LEU . 3.8 p -62.17 -16.53 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.25 -8.99 58.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.465 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -73.89 -48.22 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 1.007 ' CE2' HD21 ' A' ' 62' ' ' LEU . 70.8 m-85 -46.26 119.96 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ALA . 12.6 mm-40 -92.07 0.4 57.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.22 169.2 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.04 162.9 36.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.23 -0.75 29.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -128.73 23.9 5.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 116' ' ' GLY . 35.7 tp -40.6 -64.89 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.65 HD21 ' CD2' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -89.98 54.93 2.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.34 120.02 18.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.83 32.84 70.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.6 m -129.1 105.02 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.484 ' HA ' HG12 ' A' ' 69' ' ' VAL . 29.9 mtm180 -89.41 108.98 19.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.608 HG21 HG13 ' A' ' 82' ' ' ILE . 1.7 mp -99.71 160.73 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.816 ' CE2' HD22 ' A' ' 74' ' ' LEU . 40.7 t80 -130.43 123.39 29.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.65 ' CD2' HD13 ' A' ' 59' ' ' LEU . 95.4 mt -84.99 133.02 34.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -147.4 110.22 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.272 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . 122.29 -68.83 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.537 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 33.0 m-85 -37.13 134.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.79 84.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.56 -100.05 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' CD ' ' HB3' ' A' ' 27' ' ' GLU . 78.8 mtt180 -97.11 -57.35 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.259 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.656 ' HA ' HD22 ' A' ' 26' ' ' LEU . 1.5 mttt -41.7 -36.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.614 ' CD1' HD13 ' A' ' 48' ' ' LEU . 24.7 tp -71.01 -70.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -38.27 -35.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 70.4 mmtt -63.86 -64.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.65 HD13 ' CD2' ' A' ' 48' ' ' LEU . 18.2 mt -45.79 -39.57 8.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 23.5 mtp180 -52.7 -34.87 54.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -85.8 -36.46 20.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.007 HD21 ' CE2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -68.25 -67.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.763 HG21 ' O ' ' A' ' 69' ' ' VAL . 21.8 mt -43.01 -50.88 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -61.25 -45.47 94.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 t -56.83 -36.32 69.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 113' ' ' PHE . . . -84.42 -2.52 89.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.61 -13.52 51.85 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.425 ' CA ' ' HB2' ' A' ' 41' ' ' LEU . . . -57.6 171.06 3.45 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.763 ' O ' HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -100.21 167.75 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.52 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -137.5 87.58 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.436 ' HD1' HG13 ' A' ' 69' ' ' VAL . 4.3 m-85 -82.82 158.23 22.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.06 -7.64 11.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.48 ' C ' ' CE1' ' A' ' 47' ' ' TYR . 34.2 mt-30 -123.07 149.47 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.816 HD22 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.15 114.74 25.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.536 ' ND2' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -138.89 -174.87 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.01 -33.95 44.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.69 -19.13 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.536 HG23 ' ND2' ' A' ' 75' ' ' ASN . 60.2 t -67.9 132.33 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.543 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.5 p -112.99 -9.23 13.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 79' ' ' THR . 35.3 m80 -159.26 143.43 15.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.629 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.636 HG11 HD12 ' A' ' 90' ' ' LEU . 40.7 t -125.39 97.56 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.659 HD13 HG23 ' A' ' 104' ' ' VAL . 2.9 mm -82.3 102.95 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.499 ' CG2' HG13 ' A' ' 103' ' ' VAL . 19.9 t -87.5 150.81 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -116.2 -31.79 1.8 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.25 -56.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -163.81 163.97 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -119.38 83.71 2.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -93.64 -24.85 17.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' GLN . 3.4 tp10 -74.68 -42.52 58.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.664 ' CD2' ' CZ2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -45.34 -42.78 10.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -49.83 -38.01 33.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' GLU . 2.2 mm-40 -65.44 -43.78 89.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 18.5 t80 -65.23 -26.59 68.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.664 ' CZ2' ' CD2' ' A' ' 90' ' ' LEU . 9.7 m0 -77.17 -13.46 59.94 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -101.59 4.25 40.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -115.4 -75.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 64.1 m -102.55 158.02 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.68 99.07 10.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -160.76 144.08 13.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.601 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.83 90.23 31.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 166.57 28.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -87.86 101.91 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.499 HG13 ' CG2' ' A' ' 83' ' ' VAL . 29.0 t -87.47 94.59 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.659 HG23 HD13 ' A' ' 82' ' ' ILE . 27.2 m -123.73 177.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 107' ' ' LYS . . . -104.09 149.07 17.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.789 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -41.36 -31.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.515 ' N ' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -41.66 -47.03 3.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 42.0 t90 -57.78 -63.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.671 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -39.74 -53.91 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.524 HD23 HD22 ' A' ' 62' ' ' LEU . 30.3 mt -48.91 -64.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.0 mm-40 -47.69 -40.04 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.23 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 33.6 m -57.66 -48.67 78.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.671 ' CE2' HD22 ' A' ' 109' ' ' LEU . 31.0 m-85 -72.88 -33.96 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -68.92 -38.45 79.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.745 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.2 mmtt -82.55 -25.66 33.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 96.49 -13.23 65.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.749 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.4 p90 -138.6 152.22 47.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 89.1 mtp -61.74 140.75 58.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.749 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -115.89 177.46 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.46 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 44.9 m -64.17 145.6 55.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.571 ' HB3' HG11 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -95.44 -10.05 30.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.656 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 30.7 mt-10 -65.43 -42.3 56.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.0 3.01 6.0 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.632 ' O ' HG12 ' A' ' 104' ' ' VAL . 98.7 m-85 -142.73 48.02 1.54 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 30.2 mm -90.73 142.92 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.472 ' HB3' HG12 ' A' ' 103' ' ' VAL . 51.1 t60 -105.58 107.64 18.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.594 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t -112.8 -70.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' A' ' 129' ' ' PRO . . . 122.13 -105.27 0.97 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.41 ' HD3' ' HA3' ' A' ' 128' ' ' GLY . 18.1 Cg_endo -75.06 177.94 7.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.9 m -128.67 -57.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.6 160.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m 61.86 155.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.03 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.6 p -110.37 135.94 50.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.05 -73.16 1.13 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.79 87.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 p -170.24 166.99 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.16 136.42 6.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 p -98.89 163.05 12.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 58.11 157.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.4 p -179.07 125.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.0 pt -148.48 139.19 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.31 143.8 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 108.265 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -116.26 155.32 28.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -56.58 119.52 6.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD12 HD11 ' A' ' 19' ' ' LEU . 3.4 tt -72.96 100.88 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.56 102.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.9 m 56.76 104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.34 150.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.473 HD11 HD12 ' A' ' 15' ' ' LEU . 5.7 mt -156.07 154.46 31.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -47.71 147.33 3.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.647 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo -75.01 71.11 5.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 20' ' ' GLU . 3.1 p -102.6 -176.3 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.446 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.844 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -78.93 -48.15 15.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.72 1.26 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 20' ' ' GLU . 3.9 t30 -115.04 -7.04 12.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' A' ' 29' ' ' LEU . 2.0 mt -39.63 -40.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.88 -47.59 74.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ASN . 11.3 m-20 -94.52 34.46 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 21' ' ' PRO . 15.1 tp -102.92 156.14 17.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.877 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 40.8 t0 -118.6 105.45 11.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.984 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -73.8 -22.93 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.45 20.02 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.049 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.877 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -106.86 -43.18 4.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 93.4 m-85 -50.3 128.65 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 35.6 tp60 -84.76 -10.33 57.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HB2' ' HA2' ' A' ' 116' ' ' GLY . . . -41.35 162.9 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.0 159.1 41.75 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 65' ' ' SER . 12.3 mt-10 -74.11 -11.38 60.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.32 23.47 13.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.508 HD22 ' HB1' ' A' ' 36' ' ' ALA . 25.7 tp -43.29 -63.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.727 HD11 HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -100.78 44.96 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -46.56 128.48 10.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.61 42.74 20.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 72.7 m -113.31 112.78 24.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.569 ' HG2' ' CE1' ' A' ' 71' ' ' PHE . 9.2 mtm-85 -93.81 105.45 17.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.563 HG21 ' CG1' ' A' ' 82' ' ' ILE . 4.0 mt -108.98 148.92 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.824 ' CD1' HG13 ' A' ' 81' ' ' VAL . 3.1 t80 -110.9 130.57 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.953 ' CD2' HD13 ' A' ' 59' ' ' LEU . 66.7 mt -90.97 138.19 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' CG ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -148.58 106.12 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 108.289 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 100.9 55.94 0.91 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 44.3 m-85 -156.75 131.16 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.0 p -140.38 -57.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.69 -137.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -64.42 -39.22 93.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -40.51 -44.79 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 51' ' ' PHE . 3.4 tp -68.89 -69.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -39.22 -40.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 11.5 mmtt -59.79 -68.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.953 HD13 ' CD2' ' A' ' 48' ' ' LEU . 52.2 mt -48.44 -39.28 22.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -56.44 -31.88 64.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' CB ' ' A' ' 65' ' ' SER . 94.6 mtt180 -94.27 -34.08 12.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.984 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -67.64 -61.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' A' ' 59' ' ' LEU . 3.5 mt -48.44 -47.76 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -43.26 80.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 13.3 t -50.26 -41.41 50.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -81.79 6.1 67.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.6 -10.05 57.07 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.87 165.69 11.14 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.4 t -118.06 112.33 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.634 ' HD2' HD12 ' A' ' 48' ' ' LEU . 3.7 ttp180 -76.56 122.26 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -103.26 111.09 23.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.946 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -69.11 -18.2 63.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -120.83 162.45 19.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -110.56 159.71 17.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER 163.19 -175.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.75 86.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 173.54 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.666 HG11 HG22 ' A' ' 81' ' ' VAL . 77.4 t -56.12 126.15 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.578 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 50.6 p -98.82 -17.65 18.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -162.29 143.96 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.824 HG13 ' CD1' ' A' ' 47' ' ' TYR . 26.2 t -122.01 103.6 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.563 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.4 mm -74.28 99.72 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 126' ' ' HIS . 90.8 t -93.69 134.94 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.72 -55.85 1.6 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 5.2 m-20 -117.3 -47.74 2.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 14.7 p90 -163.49 179.09 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.415 ' CG ' ' SG ' ' A' ' 49' ' ' CYS . 7.8 t0 -150.82 115.66 5.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.55 -41.23 11.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.3 tt0 -52.63 -55.9 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.681 HD12 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -40.7 -62.8 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' LEU . 32.4 mttm -38.32 -42.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.8 mm-40 -71.26 -47.53 56.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.543 ' CD2' HD22 ' A' ' 74' ' ' LEU . 59.8 t80 -60.11 -20.11 56.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.579 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 6.5 m0 -78.73 -15.76 58.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -116.51 11.81 14.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.01 -75.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.1 m -104.9 157.94 16.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.78 97.14 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -172.4 151.13 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.87 96.17 38.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.74 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 141.15 26.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.586 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 88.3 m-70 -62.85 100.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.577 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -88.67 113.78 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 121' ' ' GLU . 27.4 m -143.59 179.42 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -105.76 147.08 16.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.558 1.161 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.844 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -41.31 -34.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -43.28 -46.86 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.58 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 38.1 t90 -53.88 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.727 HD11 HD11 ' A' ' 41' ' ' LEU . 16.6 tp -40.23 -55.11 2.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.6 mt -45.96 -52.27 11.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.449 ' HB2' HD12 ' A' ' 119' ' ' LEU . 3.4 mm-40 -62.14 -34.13 75.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.56 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 56.1 m -59.4 -57.64 12.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.518 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 49.5 m-85 -68.56 -35.09 76.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 t -59.84 -45.96 90.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.751 ' HG3' HD11 ' A' ' 119' ' ' LEU . 1.6 mmtt -79.34 -25.34 42.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.532 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . 100.78 -15.79 58.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.609 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 14.0 p90 -132.32 159.49 39.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 92.3 mtp -71.03 130.16 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.751 HD11 ' HG3' ' A' ' 115' ' ' LYS . 2.4 mt -102.36 176.08 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 19.7 m -64.42 144.06 57.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.582 ' HB3' HG11 ' A' ' 104' ' ' VAL . 2.3 mp0 -95.46 -20.49 19.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.617 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 18.1 mt-10 -57.09 -45.01 99.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.236 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.01 2.77 6.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.545 ' O ' HG12 ' A' ' 104' ' ' VAL . 75.3 m-85 -138.76 38.92 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.488 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 16.1 mm -81.35 139.57 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.573 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 8.0 t60 -102.97 106.69 17.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.5 m -107.6 167.31 10.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -99.7 -141.15 11.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 126.88 10.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.7 t -133.73 126.38 30.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 62.8 p -123.21 -63.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.468 1.105 . . . . 0.0 111.061 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -175.06 102.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.97 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.96 151.97 16.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.031 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.19 126.42 7.6 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -118.57 116.44 26.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p -166.36 150.7 7.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.51 -141.84 7.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -126.01 153.92 43.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -40.84 146.21 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.24 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -94.55 109.61 21.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 11' ' ' ILE . 40.2 mm -122.88 72.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.65 159.64 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.334 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -68.91 152.26 45.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.37 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.5 p -106.49 170.46 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.71 174.63 10.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -123.11 113.68 19.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.6 130.32 2.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.82 122.67 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.864 HD21 ' HB3' ' A' ' 25' ' ' ASN . 21.1 tp -134.88 136.36 42.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -55.89 140.7 68.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 18.3 Cg_endo -75.01 63.64 6.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.2 p -104.72 172.97 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.979 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -77.58 -58.58 3.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.84 -22.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.864 ' HB3' HD21 ' A' ' 19' ' ' LEU . 18.8 m-20 -125.77 39.88 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.558 HD13 HD21 ' A' ' 110' ' ' LEU . 3.6 tp -85.31 -26.65 26.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.39 -27.09 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.616 ' O ' HD23 ' A' ' 19' ' ' LEU . 4.5 m120 -119.08 22.21 11.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.845 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.79 115.09 16.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.728 ' N ' HD22 ' A' ' 29' ' ' LEU . 62.7 t0 -66.24 82.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.866 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.5 p -53.85 -32.24 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -6.91 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -76.01 -46.1 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.707 ' CE2' HD21 ' A' ' 29' ' ' LEU . 65.7 m-85 -52.34 123.23 10.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -92.79 5.34 51.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.621 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.46 168.32 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.621 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.01 166.01 30.09 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 65' ' ' SER . 2.7 mt-10 -82.08 4.31 23.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -133.97 21.03 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 116' ' ' GLY . 51.8 tp -40.26 -66.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -93.87 48.95 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.95 129.02 40.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.47 41.31 48.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.7 m -123.65 104.34 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -86.63 117.4 25.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.539 HG21 ' CG1' ' A' ' 82' ' ' ILE . 2.3 mt -115.25 157.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.748 ' CD2' HD22 ' A' ' 74' ' ' LEU . 72.6 t80 -115.12 129.0 56.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.892 ' CD2' HD13 ' A' ' 59' ' ' LEU . 95.2 mt -93.03 119.18 32.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.8 t -132.02 120.67 22.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.93 36.46 7.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CE2' ' CD1' ' A' ' 59' ' ' LEU . 20.9 m-85 -138.46 127.75 24.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 p -144.02 -48.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.37 -136.81 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -35.88 81.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 51' ' ' PHE . 2.6 mttt -44.56 -50.44 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.64 ' CD1' HD13 ' A' ' 48' ' ' LEU . 3.5 tp -63.91 -68.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.7 t70 -40.2 -42.14 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' ARG . 67.3 mmtt -59.55 -70.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.892 HD13 ' CD2' ' A' ' 48' ' ' LEU . 21.1 mt -44.91 -47.92 11.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.406 ' HA ' ' CD ' ' A' ' 70' ' ' ARG . 47.0 mtp180 -46.31 -28.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' LYS . 77.9 mtt180 -89.2 -30.4 18.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.893 HD23 ' CD2' ' A' ' 113' ' ' PHE . 1.0 OUTLIER -76.04 -68.9 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.819 HD11 HD21 ' A' ' 48' ' ' LEU . 5.3 mt -42.93 -36.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -78.06 -45.81 22.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 14.0 t -57.19 -38.56 73.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -79.89 -2.49 88.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.93 -10.74 59.47 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.64 164.7 34.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 t -116.96 117.79 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.682 ' HB3' HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -89.48 127.0 35.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE2' ' HB2' ' A' ' 77' ' ' ASP . 1.9 m-85 -97.73 125.38 42.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -75.18 -20.91 59.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -125.45 141.68 51.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -71.4 128.32 35.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -153.23 179.45 8.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' CD ' ' HG ' ' A' ' 97' ' ' SER . 23.4 mt-10 -81.01 7.55 10.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 14.4 m-20 -89.36 -45.6 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -62.45 140.04 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 77.3 p -106.34 -18.21 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.511 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.3 m80 -140.56 146.43 38.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 47' ' ' TYR . 25.1 t -120.35 116.62 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.539 ' CG1' HG21 ' A' ' 46' ' ' ILE . 2.5 mm -95.69 105.39 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.537 ' CG2' HG13 ' A' ' 103' ' ' VAL . 23.3 t -83.76 133.41 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.75 -24.82 6.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.558 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 7.9 t0 -144.01 -48.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 12.0 p90 -164.16 140.29 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 4.7 p-10 -93.36 80.31 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 91' ' ' LYS . 6.1 m-20 -93.27 -53.29 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -38.35 -46.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.684 HD22 ' CZ2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -47.11 -50.74 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' ASP . 80.6 mttt -41.4 -37.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -44.6 60.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LEU . 42.6 t80 -67.36 -17.4 64.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.684 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 5.2 m0 -83.2 -21.85 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.53 5.73 50.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -113.47 -87.74 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.418 ' HG ' ' CD ' ' A' ' 76' ' ' GLU . 58.0 m -95.36 158.65 15.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.29 98.36 10.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -162.08 139.21 8.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 95.09 47.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.435 ' HD2' HD21 ' A' ' 90' ' ' LEU . 18.2 Cg_endo -74.98 167.1 27.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -82.76 102.18 11.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.554 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.537 HG13 ' CG2' ' A' ' 83' ' ' VAL . 35.8 t -87.02 107.92 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.695 HG11 ' HB3' ' A' ' 121' ' ' GLU . 35.4 m -137.87 178.65 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.67 145.37 16.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.979 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.22 -33.48 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.765 ' H ' HD23 ' A' ' 23' ' ' LEU . 10.5 tttt -43.37 -46.47 6.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.53 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 30.2 t90 -53.65 -64.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.029 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 41' ' ' LEU . 17.4 tp -45.54 -55.15 6.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.558 HD21 HD13 ' A' ' 26' ' ' LEU . 89.3 mt -42.64 -60.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.3 mm-40 -53.18 -44.49 67.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 63.6 m -51.61 -54.94 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.893 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -67.86 -6.03 19.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.517 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -89.86 -41.95 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -87.04 -25.8 24.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.632 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 98.11 -9.06 63.26 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.733 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 4.2 p90 -132.82 142.49 49.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 73.8 mtp -57.85 142.73 44.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.733 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.3 OUTLIER -114.88 176.36 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.45 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 71.1 m -63.62 142.58 58.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.695 ' HB3' HG11 ' A' ' 104' ' ' VAL . 3.0 mt-10 -96.08 -11.92 25.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.5 mt-10 -65.94 -43.73 59.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -75.03 3.01 6.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.53 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 74.4 m-85 -135.27 35.55 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 15.9 mm -81.04 143.05 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -112.23 107.68 16.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.8 t -90.19 166.66 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -113.32 -172.03 18.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.2 m 49.91 98.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.1 t -73.28 125.67 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -150.18 -63.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p -77.82 158.62 29.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.051 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.03 64.45 0.27 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.37 108.52 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -51.26 165.83 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.73 104.49 0.48 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.99 137.47 51.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.72 105.92 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.16 95.05 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.504 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.2 tp -171.96 109.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.3 p -84.8 127.86 34.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -117.63 138.28 52.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.97 136.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 42.95 86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -136.33 115.51 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.03 158.27 19.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.53 143.63 37.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mt -148.11 155.81 41.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.67 148.95 0.28 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo -74.97 81.56 2.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 10.4 p -127.14 158.88 35.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.141 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -51.25 -63.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.3 -51.45 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.433 ' ND2' ' OG1' ' A' ' 22' ' ' THR . 1.6 m-20 -93.38 60.96 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.508 HD12 HD23 ' A' ' 29' ' ' LEU . 16.3 tp -97.21 -31.8 12.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 64.1 mt-10 -75.37 -42.79 53.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -78.37 -14.28 59.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.735 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.9 tp -57.84 160.33 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.578 ' H ' HD12 ' A' ' 29' ' ' LEU . 34.8 t0 -120.29 89.98 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.962 HG23 ' HG ' ' A' ' 62' ' ' LEU . 5.4 p -53.65 -22.7 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.421 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -90.34 20.51 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.06 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -106.93 -43.33 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.735 ' CE2' HD11 ' A' ' 29' ' ' LEU . 93.4 m-85 -49.64 128.36 17.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -87.88 -5.92 58.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.548 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -43.62 165.38 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.538 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.98 153.33 41.79 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -69.24 -7.43 36.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -117.75 19.49 13.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.676 HD23 ' CD1' ' A' ' 113' ' ' PHE . 30.0 tp -39.91 -64.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -98.68 48.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.77 129.02 35.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.9 40.64 27.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.2 m -119.49 105.5 11.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.7 mtm-85 -86.67 117.95 25.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.6 mt -118.35 150.99 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.999 ' CD2' HD12 ' A' ' 74' ' ' LEU . 79.0 t80 -112.48 132.9 54.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.083 HD22 HD13 ' A' ' 59' ' ' LEU . 97.5 mt -96.64 114.76 26.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 3.0 t -121.42 116.69 25.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.409 ' CA ' ' OD2' ' A' ' 85' ' ' ASP . . . 91.62 45.05 4.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -140.58 142.07 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -150.56 -72.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.24 -161.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -39.03 -37.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HG2' ' CG ' ' A' ' 27' ' ' GLU . 3.7 mttt -44.56 -50.08 9.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ASP . 4.3 tp -63.03 -70.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.7 t70 -38.69 -52.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 29.5 mmtt -42.81 -61.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.083 HD13 HD22 ' A' ' 48' ' ' LEU . 38.9 mt -56.82 -50.02 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -45.83 -25.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -93.58 -34.81 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.99 HD23 ' CD2' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -70.35 -65.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.818 HD11 HD21 ' A' ' 48' ' ' LEU . 3.6 mt -44.2 -35.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -78.79 -45.05 21.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -48.45 69.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -71.99 -10.4 72.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.67 -20.62 48.68 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -50.52 160.15 1.46 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 t -112.92 109.96 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 6.0 ttp180 -78.0 119.49 21.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.695 ' CE2' ' CB ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER -96.74 116.51 29.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.58 -27.21 67.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -127.33 136.23 51.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.999 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -74.57 144.1 44.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.574 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 2.7 p-10 176.0 -174.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' N ' HD22 ' A' ' 75' ' ' ASN . 10.0 mt-10 -65.53 72.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.695 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 1.6 m-20 -165.83 -48.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -65.31 104.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 45' ' ' ARG . 71.3 p -74.58 -14.42 60.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.822 ' O ' HG23 ' A' ' 78' ' ' VAL . 6.8 m80 -145.5 140.55 27.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.575 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.955 HG11 ' CD2' ' A' ' 90' ' ' LEU . 79.6 t -112.49 127.27 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.597 HD13 HG23 ' A' ' 104' ' ' VAL . 4.7 mm -107.88 103.01 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 87' ' ' ASP . 68.9 t -93.41 119.54 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.91 -34.28 6.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' OD2' ' CA ' ' A' ' 50' ' ' GLY . 5.7 m-20 -125.65 -56.36 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.694 ' O ' HG13 ' A' ' 83' ' ' VAL . 17.1 m-85 -146.92 170.97 15.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.807 ' HB3' HG21 ' A' ' 83' ' ' VAL . 4.6 p30 -120.35 49.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.56 -64.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -41.39 -51.36 3.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.955 ' CD2' HG11 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -38.97 -47.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -55.79 -53.37 57.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -54.77 -49.88 69.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 75' ' ' ASN . 35.2 t80 -56.11 -36.94 68.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.436 ' CD2' HD12 ' A' ' 90' ' ' LEU . 6.5 m0 -70.29 -12.97 61.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -106.38 7.56 31.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -116.75 -73.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -107.09 158.21 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.1 98.44 10.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -159.14 151.11 20.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.61 89.41 52.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.595 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.03 -172.82 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -104.72 104.06 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 90' ' ' LEU . 46.0 t -84.93 99.56 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.597 HG23 HD13 ' A' ' 82' ' ' ILE . 34.1 m -132.25 178.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.68 148.1 17.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 1.141 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.1 -36.88 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.709 ' H ' HD23 ' A' ' 23' ' ' LEU . 13.5 tttt -40.22 -48.49 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 44.8 t90 -55.2 -62.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.01 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.604 HD11 HG13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -39.67 -52.28 2.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.05 -62.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.454 ' HB2' HD12 ' A' ' 119' ' ' LEU . 2.1 mm-40 -47.53 -40.62 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 32.9 m -52.52 -49.57 64.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.99 ' CD2' HD23 ' A' ' 62' ' ' LEU . 56.9 m-85 -72.71 -47.93 43.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -55.28 -38.63 68.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.041 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.78 ' HG3' HD11 ' A' ' 119' ' ' LEU . 5.2 mmtt -80.31 -24.98 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.52 -10.85 73.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.578 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 9.2 p90 -140.88 160.46 40.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 0.765 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 82.5 mtp -68.56 132.49 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.78 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.6 mt -106.83 177.44 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.44 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 66.2 m -67.87 145.34 54.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.587 ' CB ' HG11 ' A' ' 104' ' ' VAL . 2.0 mp0 -95.89 -24.14 16.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.614 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 22.7 mt-10 -54.41 -44.84 99.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.98 2.31 6.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 69.1 m-85 -136.35 37.52 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 22.3 mm -82.32 151.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.412 ' CD2' HG11 ' A' ' 83' ' ' VAL . 25.2 t60 -111.87 106.67 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.591 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.3 p -114.25 177.78 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -145.57 168.36 27.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 96.8 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -97.61 -68.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.4 -57.61 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -163.24 169.33 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.66 168.48 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.87 177.19 45.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -158.14 151.66 23.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -159.43 165.79 32.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.15 -155.73 20.14 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.68 161.49 11.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.75 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.87 171.44 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.01 148.1 23.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mt -135.23 100.97 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.9 p -172.21 147.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 108.323 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.09 93.45 8.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.3 p -175.87 161.18 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.979 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.39 96.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.1 t30 171.22 -53.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.85 -33.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.9 128.18 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 mp -99.95 -169.61 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.514 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -67.9 153.17 95.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.683 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.3 Cg_endo -74.98 69.02 5.65 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.458 1.768 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.514 HG23 ' HB3' ' A' ' 20' ' ' GLU . 77.9 p -120.74 151.91 38.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.042 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -48.17 -53.09 18.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.8 -19.56 4.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 3.0 m-20 -125.22 52.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.138 HD23 HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -81.08 -33.99 32.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' CB ' ' HD2' ' A' ' 54' ' ' ARG . 16.3 mt-10 -75.52 -32.74 60.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -107.14 32.6 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.138 HD23 HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -105.79 149.24 26.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.667 ' N ' HD12 ' A' ' 29' ' ' LEU . 15.8 t0 -111.29 89.47 3.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.916 HG23 ' HG ' ' A' ' 62' ' ' LEU . 1.9 p -53.1 -33.55 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -6.62 30.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -76.33 -47.17 24.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.726 ' CE2' HD21 ' A' ' 62' ' ' LEU . 66.6 m-85 -46.79 123.96 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -86.14 0.47 53.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.658 ' HB2' ' HA ' ' A' ' 113' ' ' PHE . . . -42.26 162.91 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.02 164.71 32.78 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.94 7.58 15.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.45 22.6 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 116' ' ' GLY . 52.4 tp -44.06 -62.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.443 HD11 HD21 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -101.72 44.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.8 129.68 14.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.79 42.81 29.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.58 1.175 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 41' ' ' LEU . 61.9 m -116.13 107.28 14.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 4.3 mtt-85 -88.32 108.78 19.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.455 ' CG2' HG12 ' A' ' 82' ' ' ILE . 2.2 mt -112.47 157.84 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.939 ' HB3' HG22 ' A' ' 81' ' ' VAL . 4.8 t80 -119.62 123.83 44.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.904 HD22 HD23 ' A' ' 59' ' ' LEU . 96.1 mt -92.58 133.67 35.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.8 131.75 9.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.41 -5.29 38.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.75 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 20.5 m-85 -108.58 -176.71 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 51' ' ' PHE . 2.8 p 155.45 115.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.36 -93.4 0.83 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HD2' ' CB ' ' A' ' 27' ' ' GLU . 4.2 mtm180 -98.12 -66.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.22 -40.96 3.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.959 HD13 ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -69.15 -70.99 0.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.959 ' N ' HD13 ' A' ' 56' ' ' LEU . 1.2 m-20 -38.9 -47.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' CB ' HD22 ' A' ' 26' ' ' LEU . 9.5 mmtt -40.85 -63.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.904 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.67 -55.21 20.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' CG ' ' HD3' ' A' ' 70' ' ' ARG . 7.3 mtp180 -39.32 -39.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -77.45 -42.72 34.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.916 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -59.19 -65.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' LEU . 9.3 mt -38.93 -56.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -58.6 -42.95 89.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' LEU . 8.2 t -60.19 -15.39 23.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.09 1.88 28.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.18 -14.09 51.51 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.84 158.15 5.19 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.44 116.26 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HD2' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.47 108.21 13.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -84.73 120.16 26.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -74.39 -9.62 58.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 2.5 mt-30 -134.91 174.3 10.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.608 HD22 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -116.46 162.95 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 5.5 p30 155.78 -175.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.86 91.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 169.06 -33.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG11 ' CG2' ' A' ' 81' ' ' VAL . 55.3 t -57.35 114.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.539 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 43.8 p -83.7 -20.36 33.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.42 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 79' ' ' THR . 8.0 m80 -159.91 163.46 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.582 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.939 HG22 ' HB3' ' A' ' 47' ' ' TYR . 39.8 t -139.51 100.7 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.758 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.4 mm -76.19 103.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.746 ' CG2' HG13 ' A' ' 103' ' ' VAL . 76.6 t -95.85 135.59 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.532 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -102.76 -13.51 29.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -160.47 -44.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 6.3 p90 -172.48 174.75 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.643 ' CG ' HD23 ' A' ' 90' ' ' LEU . 8.4 t0 -152.02 99.72 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.1 m-20 -72.27 -49.06 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.3 tm-20 -37.66 -50.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.705 HD12 ' CE2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -37.76 -60.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -42.81 -54.09 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -57.53 -49.34 76.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.608 ' CD2' HD22 ' A' ' 74' ' ' LEU . 22.2 t80 -60.55 -24.78 65.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.705 ' CE2' HD12 ' A' ' 90' ' ' LEU . 11.7 m0 -87.93 -10.64 49.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -105.67 12.37 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -137.46 -60.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.572 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 69.3 m -99.42 157.59 16.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -108.41 99.9 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -168.34 153.96 6.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.581 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -125.46 91.18 49.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.646 ' HG2' HD11 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -74.92 159.74 41.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -82.14 102.21 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.746 HG13 ' CG2' ' A' ' 83' ' ' VAL . 79.1 t -90.25 95.25 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.673 HG21 ' OE1' ' A' ' 121' ' ' GLU . 27.3 m -121.4 178.35 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.19 148.86 17.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 1.042 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -42.74 -36.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.74 ' N ' HD23 ' A' ' 23' ' ' LEU . 7.7 tttt -39.01 -47.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.515 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 45.0 t90 -58.81 -61.84 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.023 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -41.79 -54.51 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.446 HD23 HD22 ' A' ' 62' ' ' LEU . 42.7 mt -48.69 -65.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.488 ' HA ' ' HB2' ' A' ' 114' ' ' SER . 1.2 mm-40 -43.49 -48.5 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.504 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 71.1 m -50.9 -58.14 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 108.284 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.824 ' CD2' HD23 ' A' ' 62' ' ' LEU . 34.7 m-85 -65.93 -7.48 16.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -89.29 -41.17 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -89.44 -25.88 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.709 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 97.88 -11.95 64.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.802 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 6.0 p90 -128.77 144.72 51.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.2 mtp -60.27 140.34 57.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.802 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -113.31 172.15 7.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.476 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 18.5 m -56.99 141.55 45.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.673 ' OE1' HG21 ' A' ' 104' ' ' VAL . 5.2 mm-40 -95.81 -10.58 28.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 30.3 mt-10 -67.85 -42.89 35.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.1 Cg_endo -75.07 3.63 5.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.536 1.809 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.515 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 96.2 m-85 -139.21 40.95 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 29.2 mm -86.33 148.92 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.416 ' HB3' HG12 ' A' ' 103' ' ' VAL . 1.9 t-80 -110.54 106.73 16.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.573 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 p -105.99 165.14 11.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -109.98 -157.45 16.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.1 94.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.14 101.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -96.53 100.86 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.73 155.95 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.53 -170.15 40.22 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.83 -59.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 0.787 . . . . 0.0 109.983 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m 63.74 137.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.948 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.78 79.81 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 m -146.34 165.53 29.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -172.84 157.42 3.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.37 157.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.6 tt -132.93 172.24 16.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.9 163.38 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 108.343 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -81.73 173.11 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.72 143.94 50.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.706 ' O ' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER 173.09 155.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 63.45 168.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -110.43 130.2 55.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt 59.28 99.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.706 HD11 ' O ' ' A' ' 15' ' ' LEU . 4.9 mp -98.13 -168.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' OE1' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -62.87 152.44 82.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.668 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.1 Cg_endo -75.04 59.28 5.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.439 HG23 ' OE1' ' A' ' 20' ' ' GLU . 5.1 p -111.06 153.42 25.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.677 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -50.3 -52.77 33.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.93 -17.93 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -124.57 52.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.879 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -82.66 -42.23 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.88 -37.86 82.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -95.95 43.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 21' ' ' PRO . 16.0 tp -105.95 160.86 14.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.58 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 40.1 t0 -126.92 80.71 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.855 HG23 ' HG ' ' A' ' 62' ' ' LEU . 11.2 p -54.73 -22.57 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.03 2.31 24.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -92.34 -42.9 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 39.9 m-85 -49.83 128.41 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 13.9 tt0 -96.09 -2.6 46.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -43.79 167.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.03 164.74 32.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.94 3.63 33.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.07 18.58 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 116' ' ' GLY . 61.7 tp -41.03 -61.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.25 42.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -51.59 131.55 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 46.29 42.92 13.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.2 m -120.37 106.87 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 3.1 mtt-85 -88.88 110.08 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.676 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.6 mt -114.28 147.82 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.669 ' CE2' HD12 ' A' ' 74' ' ' LEU . 5.0 t80 -106.52 117.27 33.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.735 HD22 HD23 ' A' ' 59' ' ' LEU . 42.2 mt -83.42 115.57 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.779 ' SG ' HG22 ' A' ' 83' ' ' VAL . 1.8 p -120.8 165.23 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 38.18 54.69 2.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.576 ' CE2' HD23 ' A' ' 59' ' ' LEU . 9.2 m-85 -144.66 129.67 18.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -157.77 148.09 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.87 -132.83 11.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -67.41 -48.71 66.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.879 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -41.68 -54.07 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.514 ' CD1' HD13 ' A' ' 48' ' ' LEU . 21.0 tp -67.28 -56.73 8.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -39.69 -38.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ARG . 16.2 mmtt -66.07 -72.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.735 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -39.04 -38.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 16.4 mtp-105 -59.09 -51.74 68.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 65' ' ' SER . 59.3 mtt180 -68.08 -28.09 67.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.855 ' HG ' HG23 ' A' ' 31' ' ' VAL . 2.5 mp -71.74 -71.28 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.615 HD12 HD11 ' A' ' 48' ' ' LEU . 21.3 mt -37.79 -55.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -45.1 92.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 11.7 t -60.51 -29.53 69.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -91.35 -7.58 65.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.563 1.164 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.73 63.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.36 160.48 3.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.9 t -110.41 113.58 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.419 ' HG3' HD12 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -78.16 102.47 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -75.71 125.12 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -77.21 -14.48 59.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.4 170.98 13.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.763 HD22 ' CG ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -109.73 164.18 12.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.454 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.4 OUTLIER 165.81 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -67.84 -16.47 64.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -45.47 67.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' A' ' 74' ' ' LEU . 79.1 t -43.83 142.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.533 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 45.9 p -113.84 -17.56 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.676 ' HB2' HG23 ' A' ' 46' ' ' ILE . 11.0 m80 -159.44 157.44 30.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.956 HG11 HD12 ' A' ' 90' ' ' LEU . 76.6 t -135.68 96.97 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 mm -74.99 110.0 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.779 HG22 ' SG ' ' A' ' 49' ' ' CYS . 46.5 t -99.5 139.83 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -115.67 -21.25 5.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.522 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 20.0 m-20 -125.54 -53.55 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CD2' ' HB3' ' A' ' 85' ' ' ASP . 13.4 p90 179.83 -45.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 86' ' ' TYR . 17.6 t0 81.91 108.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -94.29 -34.19 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' GLN . 1.5 tp10 -57.91 -45.85 85.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.956 HD12 HG11 ' A' ' 81' ' ' VAL . 1.2 tt -40.5 -50.59 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -48.13 -46.63 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.4 mm-40 -57.96 -50.34 73.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.763 ' CG ' HD22 ' A' ' 74' ' ' LEU . 9.0 t80 -55.07 -37.81 67.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -63.59 -22.47 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.57 11.83 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -115.2 -86.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.7 m -91.34 157.71 16.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.05 98.96 10.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -163.08 157.35 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.19 90.66 49.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.61 40.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -81.34 102.31 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.45 HG22 HD11 ' A' ' 90' ' ' LEU . 46.3 t -91.78 99.11 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 121' ' ' GLU . 27.1 m -129.68 175.26 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.91 149.07 19.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.677 ' HB3' HD22 ' A' ' 23' ' ' LEU . . . -42.13 -36.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' ALA . 4.4 tttt -37.41 -50.42 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.62 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 53.3 t90 -56.54 -64.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -40.01 -48.94 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 21' ' ' PRO . 66.9 mt -52.68 -62.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.9 mm-40 -48.67 -48.39 39.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.718 ' HA ' HD11 ' A' ' 119' ' ' LEU . 80.2 m -40.67 -57.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 108.263 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.779 ' CD2' HD23 ' A' ' 62' ' ' LEU . 53.8 m-85 -65.53 -58.76 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.56 -41.43 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.603 ' HG3' HD21 ' A' ' 119' ' ' LEU . 4.7 mmmt -79.04 -24.53 43.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.519 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 90.13 -16.02 58.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.578 ' CE1' ' HG ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -132.81 162.94 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.789 . . . . 0.0 110.949 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 75.9 mtp -76.78 145.58 38.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.939 ' N ' HD12 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -116.51 -179.79 3.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.501 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.9 m -68.3 144.62 54.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.47 ' HB3' HG11 ' A' ' 104' ' ' VAL . 2.2 mt-10 -94.7 -9.05 36.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.622 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 13.3 mt-10 -72.82 -44.45 8.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.93 0.29 9.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.551 1.816 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.486 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 61.1 m-85 -133.42 34.44 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 121' ' ' GLU . 13.9 mm -75.98 153.29 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.523 ' CD2' ' HB ' ' A' ' 83' ' ' VAL . 2.3 t-80 -111.51 106.26 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.29 153.76 38.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 129' ' ' PRO . . . -94.27 141.32 15.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.402 ' HD3' ' HA2' ' A' ' 128' ' ' GLY . 18.3 Cg_endo -75.01 156.56 42.95 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.4 p 173.71 126.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.01 115.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 174.99 125.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 0.747 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -139.02 175.62 9.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.35 178.37 26.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 p -169.76 166.72 9.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.47 169.84 23.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.27 -150.14 5.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.436 1.085 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.91 159.53 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.25 153.56 51.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.62 119.05 37.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.028 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 pt -128.19 140.27 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.7 m 63.02 153.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -129.08 96.77 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.0 p -144.03 128.79 18.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.43 114.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 t30 175.79 -53.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.19 179.69 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.54 126.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.11 -166.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.54 151.87 91.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.798 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -75.05 63.75 6.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.2 p -114.63 163.15 15.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.921 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -60.07 -59.86 4.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -47.23 -22.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 23' ' ' LEU . 4.7 m-20 -119.67 59.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.668 HD23 HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -92.22 -37.22 12.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -68.78 -36.68 78.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.48 -44.02 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.898 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -44.96 145.03 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 27.7 t0 -110.31 127.92 55.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.946 HG23 ' HG ' ' A' ' 62' ' ' LEU . 4.3 p -80.62 -32.32 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.12 4.77 18.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.57 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -87.97 -45.91 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.898 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 84.9 m-85 -47.23 135.79 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.172 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -97.32 6.14 48.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -55.17 169.64 0.43 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.02 154.34 42.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -8.4 53.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -118.81 20.49 12.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 113' ' ' PHE . 48.5 tp -39.04 -65.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 63' ' ' ILE . 1.7 mt -92.53 54.39 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.25 124.16 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.31 37.9 75.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.09 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.8 m -124.75 104.63 8.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.7 mtm-85 -84.46 123.0 29.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 80' ' ' HIS . 1.8 mt -122.0 144.93 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.758 ' HD2' HG13 ' A' ' 81' ' ' VAL . 56.9 t80 -109.59 118.96 37.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.958 HD22 HD23 ' A' ' 59' ' ' LEU . 57.0 mt -84.17 132.5 34.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 t -138.96 153.95 48.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.58 55.11 9.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.525 ' CE1' ' HA3' ' A' ' 84' ' ' GLY . 13.1 m-85 -142.96 131.84 22.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.86 165.18 36.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.88 -122.66 13.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -81.19 -47.07 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.537 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -40.79 -50.54 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 51' ' ' PHE . 5.9 tp -66.77 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -39.43 -47.72 1.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 50.2 mmtt -53.49 -66.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.958 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -44.42 -57.86 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' LEU . 4.4 mtt180 -38.99 -52.31 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -65.73 -42.11 91.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.946 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -57.36 -70.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.505 HD12 HD11 ' A' ' 48' ' ' LEU . 11.4 mt -38.11 -55.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -57.65 -45.71 85.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' LEU . 39.8 t -57.18 -29.34 63.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.56 -15.12 60.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.91 -15.25 62.91 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.53 164.58 8.54 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.3 t -110.25 116.85 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 70' ' ' ARG . 4.7 ttp-105 -84.14 109.61 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.634 ' CZ ' ' HB2' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -86.11 108.94 18.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.73 -20.45 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -123.94 151.97 43.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.53 HD22 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.9 125.35 31.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.577 ' C ' ' CE1' ' A' ' 93' ' ' PHE . 6.0 m120 -148.8 -174.07 4.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' CG ' ' CB ' ' A' ' 97' ' ' SER . 13.3 mt-10 -85.15 12.34 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.634 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -94.36 -50.08 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.697 HG21 ' CB ' ' A' ' 47' ' ' TYR . 1.1 p -55.68 136.12 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.472 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 82.6 p -105.4 -15.58 14.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 2.6 m80 -141.25 147.15 37.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.639 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.993 HG11 HD12 ' A' ' 90' ' ' LEU . 74.1 t -127.49 105.91 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.444 ' HB ' HD23 ' A' ' 48' ' ' LEU . 1.1 mm -82.72 112.78 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.592 ' CG2' HG13 ' A' ' 103' ' ' VAL . 39.0 t -96.75 126.07 49.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.525 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -97.68 -36.19 4.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -133.04 -48.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -164.91 149.52 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.417 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 20.0 p-10 -106.6 91.92 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' LYS . 18.0 m-20 -92.02 -56.72 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.509 ' CB ' ' OH ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -38.81 -54.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.993 HD12 HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -38.46 -43.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.517 ' CG ' ' N ' ' A' ' 92' ' ' GLN . 3.2 pttt -51.7 -53.05 43.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.517 ' N ' ' CG ' ' A' ' 91' ' ' LYS . 8.5 mt-30 -57.68 -41.72 82.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.577 ' CE1' ' C ' ' A' ' 75' ' ' ASN . 57.8 t80 -68.34 -27.24 66.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.555 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 3.4 m0 -72.0 -24.46 61.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 107.958 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.34 1.96 54.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -107.08 -80.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.44 ' CB ' ' CG ' ' A' ' 76' ' ' GLU . 58.8 m -102.18 158.12 16.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.61 98.37 10.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -159.46 145.4 16.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.578 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.34 89.81 47.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.495 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.06 161.26 38.89 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -75.47 108.53 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.592 HG13 ' CG2' ' A' ' 83' ' ' VAL . 92.1 t -93.68 96.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.583 HG11 ' CB ' ' A' ' 121' ' ' GLU . 16.3 m -128.78 178.58 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 107' ' ' LYS . . . -103.18 153.88 18.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.446 1.091 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.921 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -47.41 -22.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 14.9 tttt -60.54 -14.28 18.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.588 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 8.2 t90 -99.84 -3.74 31.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 107.998 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.686 HD11 ' HE2' ' A' ' 113' ' ' PHE . 9.4 tp -92.17 -47.49 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.805 HD22 ' O ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -58.85 -56.24 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.5 mm-40 -47.68 -38.86 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 118' ' ' MET . 67.0 m -62.16 -55.71 26.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 108.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.686 ' HE2' HD11 ' A' ' 109' ' ' LEU . 29.4 m-85 -70.12 -6.92 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.9 t -97.33 -45.77 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 111' ' ' GLU . 1.2 mmtt -74.08 -23.07 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.99 -13.07 63.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.412 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 2.8 p90 -141.62 165.98 25.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.413 ' HA ' ' SG ' ' A' ' 112' ' ' CYS . 12.2 mtp -69.01 147.6 51.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.504 HD11 ' HG3' ' A' ' 115' ' ' LYS . 1.7 mt -117.91 177.6 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.485 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 74.8 m -66.93 143.41 56.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.583 ' CB ' HG11 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -95.75 -9.19 32.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.621 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 45.3 mt-10 -71.97 -43.01 10.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.04 3.19 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.588 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 74.7 m-85 -138.82 39.44 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 21.5 mm -83.16 148.59 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -114.56 106.82 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.2 p -109.1 171.75 7.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -147.17 -157.82 7.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 97.42 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.448 1.762 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.63 123.39 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.59 139.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -95.77 121.73 37.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 0.742 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.94 144.03 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.59 108.96 1.67 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 p -178.24 98.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 0.724 . . . . 0.0 110.042 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.48 -59.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.66 -133.22 6.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -147.13 157.79 43.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -167.2 135.95 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -58.43 147.24 32.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 tp -58.86 126.23 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.55 125.66 34.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.341 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -80.11 141.61 35.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.7 t -125.78 119.49 28.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.71 119.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -83.21 94.56 7.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 176.23 154.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -40.99 143.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mt -155.09 158.61 39.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.574 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -44.92 152.72 0.54 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.549 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -75.06 69.69 5.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 20' ' ' GLU . 81.3 p -115.78 151.21 35.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.985 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -45.84 -65.73 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 11.4 mt-10 -37.61 -66.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -80.9 62.25 4.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 13.4 tp -97.83 -26.27 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -75.34 -50.73 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -68.67 -22.88 64.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.803 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.9 tp -55.22 138.41 45.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 14.2 t0 -106.27 101.4 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.904 HG23 ' HG ' ' A' ' 62' ' ' LEU . 10.7 p -56.62 -24.1 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.37 4.68 14.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -92.96 -42.93 9.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.803 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 53.5 m-85 -49.25 130.86 19.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 8.2 tt0 -94.9 -5.13 45.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 113' ' ' PHE . . . -43.46 166.5 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.1 162.5 36.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.67 4.62 21.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -131.35 16.91 4.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' ASP . 54.9 tp -39.54 -70.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -85.73 48.76 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.45 127.15 29.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.17 39.93 58.82 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.4 m -123.45 104.32 9.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -87.32 121.51 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.641 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.4 mp -120.49 157.52 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.791 ' HD2' HG13 ' A' ' 81' ' ' VAL . 89.0 t80 -115.92 116.1 27.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.945 HD22 HD23 ' A' ' 59' ' ' LEU . 62.6 mt -83.27 119.03 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.9 t -133.54 130.08 37.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.25 52.86 5.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 59' ' ' LEU . 35.2 m-85 -145.97 136.56 24.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -165.45 147.83 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.998 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.08 -117.23 4.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.25 -52.51 6.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -41.47 -55.15 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD22 ' O ' ' A' ' 51' ' ' PHE . 8.5 tp -59.24 -61.97 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -40.31 -43.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' ARG . 69.0 mmtt -58.37 -73.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.945 HD23 HD22 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -39.86 -42.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 23.3 mtt-85 -55.55 -50.45 69.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' LYS . 78.1 mtt180 -69.81 -40.58 75.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.904 ' HG ' HG23 ' A' ' 31' ' ' VAL . 1.8 mp -56.84 -66.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.86 HD13 ' HB3' ' A' ' 70' ' ' ARG . 16.8 mt -40.1 -55.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.31 -40.89 75.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.6 t -65.99 -16.66 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -104.45 -10.36 33.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.21 -0.94 87.57 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.65 166.38 53.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 t -121.07 120.18 61.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.86 ' HB3' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -88.9 128.34 35.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 77' ' ' ASP . 1.4 m-85 -99.62 117.03 33.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -69.53 -19.77 63.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -123.44 143.69 49.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.727 HD22 ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.89 127.62 33.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.547 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -156.18 -174.22 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -83.0 9.27 10.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 1.1 m-20 -89.89 -48.21 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.708 HG21 ' HB2' ' A' ' 47' ' ' TYR . 1.8 p -63.74 148.06 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.411 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 80.6 p -110.08 -26.94 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.641 ' HB2' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -127.51 156.48 42.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.569 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.063 HG11 HD12 ' A' ' 90' ' ' LEU . 67.2 t -136.96 97.54 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.503 ' CG1' HG21 ' A' ' 46' ' ' ILE . 1.6 mm -77.41 102.38 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.828 HG22 ' HB3' ' A' ' 87' ' ' ASP . 92.6 t -88.09 106.9 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -98.72 -12.42 43.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 86' ' ' TYR . 1.1 m-20 -173.63 78.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 85' ' ' ASP . 43.8 m-85 59.28 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.828 ' HB3' HG22 ' A' ' 83' ' ' VAL . 13.0 p-10 -116.0 42.65 2.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ASP . 4.6 m-20 -39.78 -30.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' GLN . 0.1 OUTLIER -60.19 -55.2 36.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.063 HD12 HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -39.97 -53.74 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.02 -41.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 89' ' ' GLU . 1.6 mm100 -64.08 -47.68 79.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.476 ' CD2' HD12 ' A' ' 74' ' ' LEU . 17.7 t80 -61.53 -19.64 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.681 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 12.2 m0 -81.56 -22.81 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 107.995 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -101.52 5.9 42.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -108.62 -76.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.6 m -109.26 158.07 18.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.52 97.34 11.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -168.71 141.64 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.589 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.69 98.28 49.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.451 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.02 162.26 37.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.497 ' CD2' ' OE2' ' A' ' 121' ' ' GLU . 24.0 m-70 -74.9 108.43 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.638 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 83' ' ' VAL . 26.8 t -94.78 110.07 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 33.6 m -139.31 178.17 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.42 149.65 17.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.985 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.41 -35.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.671 ' H ' HD23 ' A' ' 23' ' ' LEU . 3.1 tttt -39.19 -50.23 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.616 ' CE2' ' SG ' ' A' ' 112' ' ' CYS . 41.8 t90 -58.27 -61.81 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -40.3 -44.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.36 -63.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.43 -48.25 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.709 ' HA ' HD11 ' A' ' 119' ' ' LEU . 96.6 m -41.39 -57.85 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.787 ' CD2' HD23 ' A' ' 62' ' ' LEU . 61.8 m-85 -64.91 -59.28 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 t -46.77 -48.72 20.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.513 ' HE2' ' CD2' ' A' ' 119' ' ' LEU . 1.3 mmmt -72.06 -26.66 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.83 -2.25 87.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.63 ' CE1' ' HG ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -142.79 155.87 44.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 111.004 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.9 mtp -71.66 141.37 49.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.92 ' N ' HD12 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -114.24 179.75 3.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.499 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 59.5 m -68.93 145.03 54.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.522 ' OE2' ' CD2' ' A' ' 80' ' ' HIS . 34.6 mt-10 -95.02 -9.4 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.62 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 29.2 mt-10 -73.4 -44.55 7.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.94 1.15 8.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 57.1 m-85 -134.11 36.22 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 121' ' ' GLU . 20.5 mm -80.02 146.48 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -107.14 110.46 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.554 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.3 m -113.34 167.11 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -135.54 140.61 11.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.9 28.25 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.64 156.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 73.1 p -98.15 106.17 18.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -159.88 158.19 30.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 0.766 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -177.79 74.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.7 121.43 4.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -178.25 159.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.5 p -176.04 160.81 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.15 149.13 4.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.3 t -178.5 136.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.4 136.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.9 p 179.34 91.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tt -173.99 128.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 p -165.52 149.13 8.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 108.278 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -175.96 92.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m 175.12 136.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.37 -61.14 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 61.71 165.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -120.57 138.35 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -52.85 -179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.99 -165.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' OE1' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -78.24 151.6 78.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.576 ' O ' HD13 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.0 55.3 3.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.451 HG23 ' OE1' ' A' ' 20' ' ' GLU . 19.3 p -108.8 165.27 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.994 HD21 ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -59.33 -60.55 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -44.28 -26.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 23' ' ' LEU . 26.6 m-20 -121.28 59.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.812 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -85.91 -43.14 13.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -71.08 -13.13 61.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -110.98 -7.79 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.856 HD22 ' N ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -69.03 131.5 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.856 ' N ' HD22 ' A' ' 29' ' ' LEU . 32.2 t0 -97.31 89.26 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.778 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.6 p -52.74 -34.57 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -8.7 31.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -77.16 -45.48 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.663 ' CE2' HD21 ' A' ' 29' ' ' LEU . 45.7 m-85 -48.96 123.87 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -88.93 2.37 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -45.74 166.51 0.15 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.96 157.12 43.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.62 -3.59 32.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -124.85 20.15 8.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD23 ' CD1' ' A' ' 113' ' ' PHE . 47.6 tp -40.02 -59.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -98.85 53.45 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.42 126.58 27.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.99 38.87 39.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.9 m -122.24 109.11 14.07 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -86.56 126.35 34.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.46 HG23 ' HB2' ' A' ' 80' ' ' HIS . 1.4 mt -125.79 143.46 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.743 ' HD2' HG13 ' A' ' 81' ' ' VAL . 55.5 t80 -110.35 118.81 37.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.634 HD22 HD23 ' A' ' 59' ' ' LEU . 47.1 mt -83.14 132.82 35.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.26 136.85 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 108.29 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.92 56.05 16.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.519 ' CE2' HD23 ' A' ' 59' ' ' LEU . 19.1 m-85 -148.24 133.75 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.14 165.71 35.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.29 -120.73 13.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -48.03 10.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.812 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -40.04 -46.14 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.478 HD12 HD13 ' A' ' 48' ' ' LEU . 15.1 tp -72.04 -59.4 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' LEU . 11.7 t70 -39.3 -45.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 29' ' ' LEU . 72.6 mmtt -56.28 -70.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.634 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -41.16 -47.61 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -52.3 -44.1 64.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' LYS . 80.2 mtt180 -73.28 -30.49 63.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.845 HD23 ' CD2' ' A' ' 113' ' ' PHE . 2.7 mp -68.77 -68.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.495 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 8.7 mt -39.41 -54.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.19 -45.3 91.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' LEU . 30.5 t -58.75 -27.85 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' ASP . . . -88.33 -18.67 54.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.51 -1.58 62.14 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.13 167.65 54.87 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -107.56 135.78 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.8 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HD2' HD12 ' A' ' 48' ' ' LEU . 7.7 ttp-105 -103.0 107.86 18.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CZ ' ' CB ' ' A' ' 77' ' ' ASP . 2.0 m-85 -86.53 104.23 15.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.43 -15.31 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -129.49 141.87 50.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.548 HD21 ' HG ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -71.9 126.48 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -147.81 -175.64 4.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -87.31 16.84 4.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.621 ' CB ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -100.88 -48.43 4.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.662 HG21 ' CB ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -54.35 139.06 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.488 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 21.5 p -118.6 5.4 11.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.835 ' HB3' ' HE2' ' A' ' 102' ' ' HIS . 45.3 m80 -155.27 138.69 15.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.564 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.108 HG11 HD12 ' A' ' 90' ' ' LEU . 40.3 t -126.16 109.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.428 ' CG2' ' HA ' ' A' ' 106' ' ' ALA . 1.2 mm -92.08 104.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.595 HG21 ' CG1' ' A' ' 103' ' ' VAL . 33.3 t -86.22 115.41 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.26 -41.6 4.22 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -124.68 -44.86 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -173.63 173.43 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 29.7 p-10 -138.52 92.42 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -94.38 -32.17 13.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' GLN . 3.3 tp10 -67.67 -47.24 70.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.108 HD12 HG11 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -44.91 -49.95 10.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HA ' ' CE3' ' A' ' 94' ' ' TRP . 33.0 mttt -51.33 -37.76 49.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -66.49 -44.12 83.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 97' ' ' SER . 50.9 t80 -65.46 -16.15 63.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.768 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 16.8 m0 -79.61 -12.04 59.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 107.988 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -116.97 11.1 14.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -110.91 -77.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.43 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 45.9 m -106.83 158.94 16.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.2 96.67 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -175.44 130.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -118.88 94.19 47.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.634 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.01 156.3 42.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.891 ' HE1' HG22 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -61.95 156.08 21.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.595 ' CG1' HG21 ' A' ' 83' ' ' VAL . 18.2 t -135.27 95.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.891 HG22 ' HE1' ' A' ' 102' ' ' HIS . 3.1 m -126.35 178.24 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.38 165.71 23.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.158 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.994 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -58.02 -36.0 72.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.659 ' HA ' HD12 ' A' ' 110' ' ' LEU . 15.6 tttt -38.8 -48.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 62.5 t90 -53.97 -63.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -40.28 -46.58 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 107' ' ' LYS . 26.5 mt -57.89 -59.29 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 3.1 mm-40 -50.97 -33.74 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.233 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.567 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 34.5 m -64.08 -57.66 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.246 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.845 ' CD2' HD23 ' A' ' 62' ' ' LEU . 47.8 m-85 -69.47 -12.47 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.5 t -90.78 -43.42 10.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.762 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.5 mmtt -79.57 -18.21 52.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.492 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 91.53 -15.99 60.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.791 ' CZ ' HD23 ' A' ' 119' ' ' LEU . 3.7 p90 -136.9 155.37 49.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.502 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 66.4 mtp -65.0 139.84 58.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.791 HD23 ' CZ ' ' A' ' 117' ' ' TYR . 0.6 OUTLIER -113.76 177.17 4.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.416 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 49.5 m -62.66 141.69 58.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.628 ' HB3' HG11 ' A' ' 104' ' ' VAL . 1.2 mp0 -96.32 -23.83 16.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.586 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 17.8 mt-10 -55.27 -46.37 99.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.4 Cg_endo -74.98 6.92 3.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.441 ' CD1' ' HB2' ' A' ' 108' ' ' TRP . 45.3 m-85 -133.14 16.11 4.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.519 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 8.4 mm -62.79 144.75 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -109.72 108.99 19.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.569 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.2 t -114.49 145.15 42.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.03 172.32 39.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 138.97 23.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.1 t -165.01 156.18 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.5 t 72.01 -59.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -132.81 113.78 13.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 109.951 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -177.36 134.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.31 89.91 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.52 137.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.794 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 m -110.41 80.97 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.2 152.39 21.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.25 87.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.81 161.3 17.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.75 88.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.0 tp -170.17 126.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -173.13 81.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.327 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -142.81 112.29 6.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.2 130.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -67.99 146.75 53.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER 177.16 160.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' ASN . 49.4 m 61.56 129.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.943 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.93 142.01 2.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD12 ' CB ' ' A' ' 28' ' ' ASN . 4.3 mt -149.84 163.59 37.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.0 146.15 2.19 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.795 ' HA ' HD13 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -74.97 57.31 4.51 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -113.61 161.4 17.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.065 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -54.71 -72.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 1.3 mp0 -38.1 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' LEU . 61.4 m-20 -110.47 60.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -97.94 -29.74 13.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -69.39 -51.11 39.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' CB ' HD12 ' A' ' 19' ' ' LEU . 6.0 m-80 -90.86 37.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.795 HD13 ' HA ' ' A' ' 21' ' ' PRO . 20.3 tp -98.96 154.3 18.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.844 ' OD2' ' HB2' ' A' ' 33' ' ' ALA . 20.4 t0 -119.03 94.49 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.966 HG23 ' HG ' ' A' ' 62' ' ' LEU . 7.2 p -65.6 -12.44 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.53 9.82 38.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.844 ' HB2' ' OD2' ' A' ' 30' ' ' ASP . . . -96.98 -44.27 7.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.807 ' CE2' HD21 ' A' ' 62' ' ' LEU . 74.5 m-85 -48.19 120.47 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ALA . 34.6 mt-30 -85.28 -4.11 59.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -44.96 168.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.04 152.59 40.75 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 65' ' ' SER . 1.5 mt-10 -68.81 -7.43 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -120.16 19.32 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.67 HD23 ' CD1' ' A' ' 113' ' ' PHE . 55.4 tp -38.64 -54.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.624 HD11 ' CZ ' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -104.48 57.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.63 127.57 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.65 41.91 43.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.4 m -120.35 109.37 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.568 ' HG2' ' CE1' ' A' ' 71' ' ' PHE . 4.0 mtm-85 -94.43 114.66 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.492 HG21 ' CG1' ' A' ' 82' ' ' ILE . 1.8 mt -114.41 152.51 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 1.041 ' CD2' HD12 ' A' ' 74' ' ' LEU . 59.2 t80 -110.19 125.53 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.035 HD22 HD13 ' A' ' 59' ' ' LEU . 87.2 mt -90.67 118.79 30.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.6 t -129.93 138.36 50.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 108.289 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.42 61.6 5.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.701 ' O ' HD22 ' A' ' 56' ' ' LEU . 19.6 m-85 -151.8 118.17 5.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 0.759 . . . . 0.0 111.019 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.98 123.03 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.36 -116.43 3.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -90.28 -52.26 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HB3' HD13 ' A' ' 26' ' ' LEU . 1.9 mttt -40.4 -39.51 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 51' ' ' PHE . 14.2 tp -71.1 -69.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -38.84 -42.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 29' ' ' LEU . 10.9 mmtt -53.52 -64.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.035 HD13 HD22 ' A' ' 48' ' ' LEU . 68.1 mt -46.95 -51.03 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -46.69 -28.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -96.0 -36.38 11.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.966 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -66.96 -60.62 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.845 HD11 HD21 ' A' ' 48' ' ' LEU . 3.6 mt -48.7 -43.86 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -41.01 90.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -51.82 -51.99 52.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -72.39 -2.61 55.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.29 -17.75 49.79 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.49 175.26 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -132.64 121.38 44.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -89.14 131.08 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CE2' ' CB ' ' A' ' 77' ' ' ASP . 2.3 m-85 -103.2 116.93 33.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -58.09 -32.58 68.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -122.96 135.22 54.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.041 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -74.46 146.04 43.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 77' ' ' ASP . 7.3 p-10 176.93 -178.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 6.5 mt-10 -64.26 74.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.62 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 4.0 m-20 -168.31 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -73.5 117.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 45' ' ' ARG . 77.8 p -84.12 -18.13 37.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.761 ' O ' HG23 ' A' ' 78' ' ' VAL . 3.5 m80 -143.06 147.52 35.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.573 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.655 HG11 HD22 ' A' ' 90' ' ' LEU . 65.8 t -121.17 117.36 52.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.566 HD13 HG23 ' A' ' 104' ' ' VAL . 4.1 mm -97.75 101.57 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 87' ' ' ASP . 95.6 t -92.79 131.97 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.88 -61.26 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.65 -38.2 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 8.4 p90 -171.52 165.44 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.552 ' HB3' HG22 ' A' ' 83' ' ' VAL . 5.5 p-10 -137.02 97.56 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -85.93 -33.86 21.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -62.08 -39.94 94.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.655 HD22 HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -47.99 -61.02 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -42.87 -42.74 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -64.05 -47.66 79.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.628 ' CD2' HD22 ' A' ' 74' ' ' LEU . 29.1 t80 -59.57 -19.89 51.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -81.94 -19.45 40.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.979 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -106.78 9.07 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -82.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 76' ' ' GLU . 47.1 m -105.0 158.29 16.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.31 97.22 10.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -167.34 130.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.01 94.12 37.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.42 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.0 -179.97 5.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -92.53 113.81 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.573 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.645 HG22 HD21 ' A' ' 90' ' ' LEU . 39.6 t -92.97 98.88 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.935 HG11 ' CB ' ' A' ' 121' ' ' GLU . 21.4 m -130.52 177.15 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.62 150.84 18.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 1.065 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -44.39 -38.11 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.613 ' H ' HD23 ' A' ' 23' ' ' LEU . 10.1 tttt -38.6 -48.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.554 ' HB2' ' CG ' ' A' ' 124' ' ' TYR . 23.8 t90 -55.27 -58.61 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 107.994 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.571 HD11 HG13 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -44.95 -45.9 10.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 21' ' ' PRO . 53.1 mt -55.58 -64.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 2.0 mm-40 -46.65 -42.5 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.495 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 59.6 m -50.7 -45.74 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.764 ' CD2' HD23 ' A' ' 62' ' ' LEU . 43.0 m-85 -78.64 -48.2 15.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.3 t -54.33 -36.33 63.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.824 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.7 mmtt -83.45 -26.0 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.478 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . 93.41 -13.45 67.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.727 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 4.0 p90 -137.47 139.72 40.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.8 mtp -53.11 140.03 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.824 HD11 ' HG3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -116.14 177.46 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -69.57 147.91 50.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.935 ' CB ' HG11 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -97.56 -24.22 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.569 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 0.7 OUTLIER -48.71 -47.79 71.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -75.02 3.77 5.33 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.554 ' CG ' ' HB2' ' A' ' 108' ' ' TRP . 72.1 m-85 -134.75 24.89 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.561 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 2.8 mm -66.53 154.93 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.587 ' HB3' HG12 ' A' ' 103' ' ' VAL . 2.2 t-80 -113.15 111.35 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.62 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 t -87.18 147.66 25.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -140.12 -74.68 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.42 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 82.3 p -145.03 160.49 41.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.038 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 t -127.92 162.67 26.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -71.69 151.9 43.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -98.46 92.27 5.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.064 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.68 115.48 1.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -59.94 126.46 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.79 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.45 160.9 31.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.07 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.26 95.8 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.35 88.17 1.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.756 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -92.69 111.75 23.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.2 p -168.17 89.39 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pt -108.97 131.0 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.5 p -174.42 147.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.259 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 61.72 147.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.49 117.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.64 152.69 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.73 116.48 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.28 118.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.58 150.08 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -155.45 157.87 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HB3' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -42.5 153.28 0.31 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 58.14 4.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.421 HG23 ' HB3' ' A' ' 20' ' ' GLU . 20.6 p -108.03 153.78 22.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.959 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -49.0 -57.33 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.15 -23.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -120.91 61.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.871 HD13 ' HA ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -93.13 -42.23 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 5.3 mt-10 -74.47 -24.75 59.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -107.03 24.92 12.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.845 HD12 ' H ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -101.0 155.27 18.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.845 ' H ' HD12 ' A' ' 29' ' ' LEU . 12.0 t0 -116.0 92.49 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.932 HG23 ' HG ' ' A' ' 62' ' ' LEU . 2.7 p -53.41 -33.0 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -6.01 31.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -76.94 -46.75 23.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.671 ' CE2' HD21 ' A' ' 62' ' ' LEU . 64.5 m-85 -51.03 127.12 18.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 6.0 tt0 -91.39 -3.58 56.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -41.68 162.84 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.02 159.65 41.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' CA ' ' A' ' 67' ' ' GLY . 2.2 mt-10 -75.07 -11.99 60.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.68 20.86 16.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.487 HD22 ' HB1' ' A' ' 36' ' ' ALA . 37.1 tp -43.05 -58.79 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.83 HD13 ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -106.68 39.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -44.52 122.51 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.12 40.54 97.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 56.1 m -120.7 107.4 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' THR . 11.7 mtt-85 -83.3 101.79 11.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.83 ' CD1' HD13 ' A' ' 41' ' ' LEU . 3.5 mt -102.18 165.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.827 ' CE2' HD12 ' A' ' 74' ' ' LEU . 78.1 t80 -144.55 170.96 15.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 47' ' ' TYR . 2.2 mm? -125.6 125.03 42.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 87' ' ' ASP . 7.0 t -127.75 98.8 5.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.29 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.81 24.48 5.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.41 ' CE1' HD21 ' A' ' 59' ' ' LEU . 57.8 m-85 -119.58 169.52 9.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.15 -74.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . -55.09 -165.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLY . 47.9 mtt180 -38.46 -38.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.871 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.3 mttt -42.42 -48.01 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASP . 1.4 tp -65.54 -69.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' LEU . 3.8 t70 -39.26 -42.14 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.684 ' O ' HD12 ' A' ' 62' ' ' LEU . 10.0 mmtt -50.06 -62.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -55.3 -46.45 76.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -48.93 -47.71 43.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -68.87 -42.18 77.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.932 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -59.61 -66.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.566 HD13 ' HD2' ' A' ' 70' ' ' ARG . 4.6 mt -37.81 -55.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.69 -44.44 96.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 20.0 t -61.88 -14.03 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' LEU . . . -110.42 -1.55 29.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 38' ' ' GLU . . . 87.15 -18.86 33.96 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 41' ' ' LEU . . . -51.13 155.12 3.55 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 13.5 t -92.89 111.5 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.566 ' HD2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -87.22 100.16 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.483 ' O ' ' CZ ' ' A' ' 70' ' ' ARG . 1.6 m-30 -73.94 154.37 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -90.3 -30.97 17.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -136.3 146.24 46.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.827 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -70.3 164.03 25.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.763 ' H ' HD23 ' A' ' 74' ' ' LEU . 5.3 p30 156.82 -175.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 17.4 mt-10 -65.9 90.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.482 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.2 m-20 169.53 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 80' ' ' HIS . 74.0 t -59.13 106.94 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' ' ND1' ' A' ' 80' ' ' HIS . 72.6 p -76.83 -16.29 59.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.51 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 18.8 m80 -152.17 142.31 22.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.023 HG11 HD12 ' A' ' 90' ' ' LEU . 75.3 t -119.93 101.84 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.495 ' HB ' HD13 ' A' ' 48' ' ' LEU . 1.6 mm -83.83 117.05 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.574 ' CG2' HG13 ' A' ' 103' ' ' VAL . 44.4 t -103.36 141.68 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.8 -38.34 3.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -134.83 -49.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -158.03 166.27 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 19.4 p-10 -123.43 85.88 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -93.12 -28.48 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.23 -42.15 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.023 HD12 HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -44.87 -52.68 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' LEU . 18.8 mttm -39.28 -47.43 1.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.6 -52.31 64.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 75' ' ' ASN . 9.6 t80 -58.1 -21.97 48.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.624 ' CZ2' HD22 ' A' ' 90' ' ' LEU . 10.9 m0 -82.71 -25.44 32.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 108.012 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -88.56 -0.28 57.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -108.01 -66.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.467 ' CB ' ' HG3' ' A' ' 76' ' ' GLU . 58.8 m -118.09 158.6 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.22 98.24 10.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -152.98 146.97 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.572 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.67 89.29 51.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.474 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.05 178.18 7.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.06 102.23 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.574 HG13 ' CG2' ' A' ' 83' ' ' VAL . 55.0 t -85.33 95.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.628 HG11 ' HB3' ' A' ' 121' ' ' GLU . 32.8 m -125.23 175.61 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.41 149.75 18.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.959 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . . . -42.03 -35.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.69 ' H ' HD23 ' A' ' 23' ' ' LEU . 4.3 tttt -39.34 -46.99 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.592 ' CZ2' ' OE2' ' A' ' 121' ' ' GLU . 49.1 t90 -59.48 -64.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.548 HD22 ' CE2' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -38.02 -51.31 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' SER . 25.9 mt -54.25 -63.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 119' ' ' LEU . 4.4 mm-40 -44.12 -40.08 4.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 108' ' ' TRP . 68.8 m -60.59 -57.28 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.74 ' CD2' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -68.92 -11.56 60.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' LEU . 31.1 t -88.56 -46.02 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.68 ' HG3' HD11 ' A' ' 119' ' ' LEU . 2.3 mmtt -76.59 -21.79 55.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.407 ' O ' HD13 ' A' ' 40' ' ' LEU . . . 98.54 -15.22 61.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.598 ' CE1' ' CD2' ' A' ' 119' ' ' LEU . 13.1 p90 -134.25 164.83 26.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.4 mtp -73.92 135.24 43.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.68 HD11 ' HG3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -109.6 176.79 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.444 ' C ' ' HD2' ' A' ' 123' ' ' PRO . 8.1 m -67.44 145.81 54.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.628 ' HB3' HG11 ' A' ' 104' ' ' VAL . 1.7 mp0 -95.02 -10.24 31.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.644 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 32.0 mt-10 -63.75 -43.11 75.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.05 2.11 7.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.499 ' O ' HG12 ' A' ' 104' ' ' VAL . 96.8 m-85 -138.93 43.22 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 122' ' ' GLU . 30.7 mm -87.08 149.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.464 ' HB3' HG12 ' A' ' 103' ' ' VAL . 1.8 t-80 -114.02 106.3 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.7 t -117.11 -60.33 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 124.71 -103.41 0.74 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 115.86 4.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.79 33.19 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.8 m -146.02 148.19 32.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.981 . . . . . . . . 0 0 . 1 stop_ save_